2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid

C16H17NO3 — CID 114391841

IUPAC2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid
SMILESCn1cc(C(=O)C2CCCC2C(=O)O)c2ccccc21
InChIInChI=1S/C16H17NO3/c1-17-9-13(10-5-2-3-8-14(10)17)15(18)11-6-4-7-12(11)16(19)20/h2-3,5,8-9,11-12H,4,6-7H2,1H3,(H,19,20)
InChIKeyYRABIUMJZVMZJR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.86
Rot. Bonds3

About 2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid

2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 114391841) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID114391841
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid
SMILESCn1cc(C(=O)C2CCCC2C(=O)O)c2ccccc21
InChIInChI=1S/C16H17NO3/c1-17-9-13(10-5-2-3-8-14(10)17)15(18)11-6-4-7-12(11)16(19)20/h2-3,5,8-9,11-12H,4,6-7H2,1H3,(H,19,20)
InChIKeyYRABIUMJZVMZJR-UHFFFAOYSA-N
XLogP2.86
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate
CID 85370263
(1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone
CID 79757869
2-(1-methylindole-3-carbonyl)cyclopentan-1-one
CID 102291914
(E)-3-cyclobutyl-3-(1-methylindol-3-yl)prop-2-enoic acid
CID 82277342
2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone
CID 106892551
cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid
CID 24722312
[(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone
CID 95654424
2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 53411585
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289453
2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289450
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone
CID 66394358

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid (CID 114391841) is 2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid is Cn1cc(C(=O)C2CCCC2C(=O)O)c2ccccc21.
What is the InChIKey of 2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is YRABIUMJZVMZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-17-9-13(10-5-2-3-8-14(10)17)15(18)11-6-4-7-12(11)16(19)20/h2-3,5,8-9,11-12H,4,6-7H2,1H3,(H,19,20).
What are the key properties of 2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid?
2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).