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4375-15-9 molecular structure
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3-methyl-2,3-dihydro-1H-indole

ChemBase ID: 258408
Molecular Formular: C9H11N
Molecular Mass: 133.19034
Monoisotopic Mass: 133.08914936
SMILES and InChIs

SMILES:
N1c2c(C(C1)C)cccc2
Canonical SMILES:
CC1CNc2c1cccc2
InChI:
InChI=1S/C9H11N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7,10H,6H2,1H3
InChIKey:
BFQARNDIMKOOQQ-UHFFFAOYSA-N

Cite this record

CBID:258408 http://www.chembase.cn/molecule-258408.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-2,3-dihydro-1H-indole
IUPAC Traditional name
3-methyl-2,3-dihydro-1H-indole
Synonyms
3-methylindoline
CAS Number
4375-15-9
MDL Number
MFCD07772115
PubChem SID
164314318
PubChem CID
524504

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-41296 external link Add to cart Please log in.
Data Source Data ID
PubChem 524504 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8070421  LogD (pH = 7.4) 1.8503047 
Log P 1.8508853  Molar Refractivity 44.033 cm3
Polarizability 16.210749 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.295 expand Show data source
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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