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1147103-42-1 molecular structure
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ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride

ChemBase ID: 294505
Molecular Formular: C10H18ClNO2
Molecular Mass: 219.70842
Monoisotopic Mass: 219.1026065
SMILES and InChIs

SMILES:
O=C([C@H]1NC[C@H]2[C@@H]1CCC2)OCC.Cl
Canonical SMILES:
CCOC(=O)[C@H]1NC[C@H]2[C@@H]1CCC2.Cl
InChI:
InChI=1S/C10H17NO2.ClH/c1-2-13-10(12)9-8-5-3-4-7(8)6-11-9;/h7-9,11H,2-6H2,1H3;1H/t7-,8-,9-;/m0./s1
InChIKey:
CHVSZCHUIDYZIU-YWUTZLAHSA-N

Cite this record

CBID:294505 http://www.chembase.cn/molecule-294505.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride
IUPAC Traditional name
ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride
Synonyms
(1S,3aR,6aS)-Ethyl octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride
CAS Number
1147103-42-1
PubChem SID
180680036
PubChem CID
72183111

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD264344 Please log in.
Data Source Data ID
PubChem 72183111 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0590115  LogD (pH = 7.4) 0.63279927 
Log P 1.116349  Molar Refractivity 49.324 cm3
Polarizability 19.986265 Å3 Polar Surface Area 38.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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