3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid

C15H17NO2 — CID 70793484

IUPAC3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)NCC2C1=CCCCC1
InChIInChI=1S/C15H17NO2/c17-15(18)11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10/h4,6-8,13,16H,1-3,5,9H2,(H,17,18)
InChIKeyLMELEUXRKHXGPB-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.39
Rot. Bonds2

About 3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid

3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid (PubChem CID 70793484) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid
PubChem CID70793484
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)NCC2C1=CCCCC1
InChIInChI=1S/C15H17NO2/c17-15(18)11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10/h4,6-8,13,16H,1-3,5,9H2,(H,17,18)
InChIKeyLMELEUXRKHXGPB-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide
CID 163470170
(3S)-3-hexadecyl-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride
CID 70486811
(3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
CID 131173194
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
3-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-7-carboxylic acid
CID 82790802
4-(cyclohexen-1-yl)-3-ethylbenzoic acid
CID 59316804
(3aS,9bR)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CID 46891347
5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid
CID 15896268
4-(cyclohexene-1-carbonylamino)benzoic acid
CID 21486323
1,1-dioxo-2,3,4,5-tetrahydro-1λ6,5-benzothiazepine-8-carboxylic acid
CID 115098802
1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 106655553
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid?
The IUPAC name of 3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid (CID 70793484) is 3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid.
What is the SMILES notation for 3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid?
The canonical SMILES for 3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid is O=C(O)c1ccc2c(c1)NCC2C1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid?
The InChIKey is LMELEUXRKHXGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15(18)11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10/h4,6-8,13,16H,1-3,5,9H2,(H,17,18).
What are the key properties of 3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid?
3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid is sourced from PubChem (CID 70793484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).