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15910-91-5 molecular structure
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1-methylcyclopropane-1-carboxamide

ChemBase ID: 289962
Molecular Formular: C5H9NO
Molecular Mass: 99.13106
Monoisotopic Mass: 99.06841391
SMILES and InChIs

SMILES:
O=C(C1(C)CC1)N
Canonical SMILES:
NC(=O)C1(C)CC1
InChI:
InChI=1S/C5H9NO/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H2,6,7)
InChIKey:
HLCXNVMIINTAOG-UHFFFAOYSA-N

Cite this record

CBID:289962 http://www.chembase.cn/molecule-289962.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methylcyclopropane-1-carboxamide
IUPAC Traditional name
1-methylcyclopropane-1-carboxamide
Synonyms
1-Methylcyclopropanecarboxamide
CAS Number
15910-91-5
PubChem SID
180675493
PubChem CID
13002936

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD227157 Please log in.
Data Source Data ID
PubChem 13002936 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.55115  H Acceptors
H Donor LogD (pH = 5.5) 0.30552217 
LogD (pH = 7.4) 0.3055222  Log P 0.3055222 
Molar Refractivity 26.3661 cm3 Polarizability 10.429774 Å3
Polar Surface Area 43.09 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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