1-(1-cyclopropyl-5-methylindol-3-yl)ethanone

C14H15NO — CID 115028386

IUPAC1-(1-cyclopropyl-5-methylindol-3-yl)ethanone
SMILESCC(=O)c1cn(C2CC2)c2ccc(C)cc12
InChIInChI=1S/C14H15NO/c1-9-3-6-14-12(7-9)13(10(2)16)8-15(14)11-4-5-11/h3,6-8,11H,4-5H2,1-2H3
InChIKeyNLFGUCCXACRXDV-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.49
Rot. Bonds2

About 1-(1-cyclopropyl-5-methylindol-3-yl)ethanone

1-(1-cyclopropyl-5-methylindol-3-yl)ethanone (PubChem CID 115028386) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(1-cyclopropyl-5-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-cyclopropyl-5-methylindol-3-yl)ethanone
PubChem CID115028386
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-(1-cyclopropyl-5-methylindol-3-yl)ethanone
SMILESCC(=O)c1cn(C2CC2)c2ccc(C)cc12
InChIInChI=1S/C14H15NO/c1-9-3-6-14-12(7-9)13(10(2)16)8-15(14)11-4-5-11/h3,6-8,11H,4-5H2,1-2H3
InChIKeyNLFGUCCXACRXDV-UHFFFAOYSA-N
XLogP3.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-5-methylindole-3-carboxylic acid
CID 115029082
1-cyclopropyl-5-methylindole-3-carbaldehyde
CID 115021718
cyclopropyl-(1,5-dimethylindol-3-yl)methanone
CID 82278819
1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone
CID 117098609
3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one
CID 59099816
N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane
CID 142006209
2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide
CID 117098611
(1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone
CID 82499713
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
1,5-dimethylindole-3-carboxamide
CID 119084556
1-(5-hydroxy-1-methylindol-3-yl)ethanone
CID 23552929
1-[5-bromo-1-[(4-methylphenyl)methyl]indol-3-yl]ethanone
CID 83526142

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-5-methylindol-3-yl)ethanone?
The IUPAC name of 1-(1-cyclopropyl-5-methylindol-3-yl)ethanone (CID 115028386) is 1-(1-cyclopropyl-5-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-(1-cyclopropyl-5-methylindol-3-yl)ethanone?
The canonical SMILES for 1-(1-cyclopropyl-5-methylindol-3-yl)ethanone is CC(=O)c1cn(C2CC2)c2ccc(C)cc12.
What is the InChIKey of 1-(1-cyclopropyl-5-methylindol-3-yl)ethanone?
The InChIKey is NLFGUCCXACRXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-9-3-6-14-12(7-9)13(10(2)16)8-15(14)11-4-5-11/h3,6-8,11H,4-5H2,1-2H3.
What are the key properties of 1-(1-cyclopropyl-5-methylindol-3-yl)ethanone?
1-(1-cyclopropyl-5-methylindol-3-yl)ethanone has a molecular weight of 213.28 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-5-methylindol-3-yl)ethanone is sourced from PubChem (CID 115028386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).