2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid

C16H16N2O3 — CID 19058101

IUPAC2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccc3cc[nH]c3c2)CCCC1
InChIInChI=1S/C16H16N2O3/c19-15(12-3-1-2-4-13(12)16(20)21)18-11-6-5-10-7-8-17-14(10)9-11/h5-9,17H,1-4H2,(H,18,19)(H,20,21)
InChIKeyAMHMTZNFCWTGKL-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.06
Rot. Bonds3

About 2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid

2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid (PubChem CID 19058101) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid
PubChem CID19058101
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccc3cc[nH]c3c2)CCCC1
InChIInChI=1S/C16H16N2O3/c19-15(12-3-1-2-4-13(12)16(20)21)18-11-6-5-10-7-8-17-14(10)9-11/h5-9,17H,1-4H2,(H,18,19)(H,20,21)
InChIKeyAMHMTZNFCWTGKL-UHFFFAOYSA-N
XLogP3.06
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 45494395
N-(1H-indol-6-yl)cycloheptanecarboxamide
CID 154864355
2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid
CID 2812906
2-[(3,4-dichlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270474
2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 18979882
N-(1H-indol-6-yl)prop-2-enamide
CID 125475014
N-(1H-indol-6-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 89441033
4-(1H-indole-6-carbonylamino)pyridine-2-carboxylic acid
CID 63750401
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346
5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide
CID 90489194
(2R)-4-(1H-indol-6-ylamino)-4-oxo-2-(pyrrolidin-1-ylmethyl)butanoic acid
CID 96557064
N-(1H-indol-6-yl)-4-oxo-1H-1,6-naphthyridine-3-carboxamide
CID 25225465

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid?
The IUPAC name of 2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid (CID 19058101) is 2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid.
What is the SMILES notation for 2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid?
The canonical SMILES for 2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid is O=C(O)C1=C(C(=O)Nc2ccc3cc[nH]c3c2)CCCC1.
What is the InChIKey of 2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid?
The InChIKey is AMHMTZNFCWTGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(12-3-1-2-4-13(12)16(20)21)18-11-6-5-10-7-8-17-14(10)9-11/h5-9,17H,1-4H2,(H,18,19)(H,20,21).
What are the key properties of 2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid?
2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid is sourced from PubChem (CID 19058101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).