(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid

C16H17NO3 — CID 124574096

IUPAC(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)[C@H]2CC=CCC2)c2ccccc21
InChIInChI=1S/C16H17NO3/c18-15(11-6-2-1-3-7-11)17-10-13(16(19)20)12-8-4-5-9-14(12)17/h1-2,4-5,8-9,11,13H,3,6-7,10H2,(H,19,20)/t11-,13-/m0/s1
InChIKeyXLGPMLYXKKTBJP-AAEUAGOBSA-N
MW271.32 g/mol
LogP2.56
Rot. Bonds2

About (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid

(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 124574096) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID124574096
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)[C@H]2CC=CCC2)c2ccccc21
InChIInChI=1S/C16H17NO3/c18-15(11-6-2-1-3-7-11)17-10-13(16(19)20)12-8-4-5-9-14(12)17/h1-2,4-5,8-9,11,13H,3,6-7,10H2,(H,19,20)/t11-,13-/m0/s1
InChIKeyXLGPMLYXKKTBJP-AAEUAGOBSA-N
XLogP2.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-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

1-(piperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565075
1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564509
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-cyclohex-3-en-1-ylmethanone
CID 63235557
1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565113
1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564569
1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691103
1-(2-cyclohexylcyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691143
1-(1,1-dioxothiane-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691430
(3R)-1-[(3R)-2,3-dihydro-1-benzothiophene-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 124609729
1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564111
cyclopentyl-(3-methyl-2,3-dihydroindol-1-yl)methanone
CID 110751863

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid (CID 124574096) is (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid is O=C(O)[C@H]1CN(C(=O)[C@H]2CC=CCC2)c2ccccc21.
What is the InChIKey of (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is XLGPMLYXKKTBJP-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15(11-6-2-1-3-7-11)17-10-13(16(19)20)12-8-4-5-9-14(12)17/h1-2,4-5,8-9,11,13H,3,6-7,10H2,(H,19,20)/t11-,13-/m0/s1.
What are the key properties of (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid?
(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 124574096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).