(3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one

C14H15NO — CID 10059075

IUPAC(3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one
SMILESCN1C(=O)[C@@]2(C=CCCC2)c2ccccc21
InChIInChI=1S/C14H15NO/c1-15-12-8-4-3-7-11(12)14(13(15)16)9-5-2-6-10-14/h3-5,7-9H,2,6,10H2,1H3/t14-/m1/s1
InChIKeySYRSTROSBZHZIC-CQSZACIVSA-N
MW213.28 g/mol
LogP2.64
Rot. Bonds

About (3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one

(3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one (PubChem CID 10059075) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one.

Molecular Properties

Compound Name(3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one
PubChem CID10059075
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one
SMILESCN1C(=O)[C@@]2(C=CCCC2)c2ccccc21
InChIInChI=1S/C14H15NO/c1-15-12-8-4-3-7-11(12)14(13(15)16)9-5-2-6-10-14/h3-5,7-9H,2,6,10H2,1H3/t14-/m1/s1
InChIKeySYRSTROSBZHZIC-CQSZACIVSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one 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'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1'-methylspiro[cyclohexene-4,3'-indole]-2'-one
CID 12024416
(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95187712
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
CID 164582213
CID 164582213
1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione
CID 71513681
CID 59909654
CID 59909654
spiro[cycloheptene-3,9'-fluorene]
CID 134848598
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
3-chloro-1-methyl-3-(trichloromethyl)indol-2-one
CID 121215854
1''-methyldispiro[cyclopentane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one
CID 4267368
(3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one
CID 134964012

Frequently Asked Questions

What is the IUPAC name of (3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one?
The IUPAC name of (3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one (CID 10059075) is (3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one.
What is the SMILES notation for (3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one?
The canonical SMILES for (3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one is CN1C(=O)[C@@]2(C=CCCC2)c2ccccc21.
What is the InChIKey of (3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one?
The InChIKey is SYRSTROSBZHZIC-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15NO/c1-15-12-8-4-3-7-11(12)14(13(15)16)9-5-2-6-10-14/h3-5,7-9H,2,6,10H2,1H3/t14-/m1/s1.
What are the key properties of (3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one?
(3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one has a molecular weight of 213.28 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one is sourced from PubChem (CID 10059075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).