1'-methylspiro[cyclohexene-4,3'-indole]-2'-one

C14H15NO — CID 12024416

IUPAC1'-methylspiro[cyclohexene-4,3'-indole]-2'-one
SMILESCN1C(=O)C2(CC=CCC2)c2ccccc21
InChIInChI=1S/C14H15NO/c1-15-12-8-4-3-7-11(12)14(13(15)16)9-5-2-6-10-14/h2-5,7-8H,6,9-10H2,1H3
InChIKeyOKRSAJFQPSCGJW-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.64
Rot. Bonds

About 1'-methylspiro[cyclohexene-4,3'-indole]-2'-one

1'-methylspiro[cyclohexene-4,3'-indole]-2'-one (PubChem CID 12024416) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1'-methylspiro[cyclohexene-4,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-methylspiro[cyclohexene-4,3'-indole]-2'-one
PubChem CID12024416
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1'-methylspiro[cyclohexene-4,3'-indole]-2'-one
SMILESCN1C(=O)C2(CC=CCC2)c2ccccc21
InChIInChI=1S/C14H15NO/c1-15-12-8-4-3-7-11(12)14(13(15)16)9-5-2-6-10-14/h2-5,7-8H,6,9-10H2,1H3
InChIKeyOKRSAJFQPSCGJW-UHFFFAOYSA-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'}

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Related Compounds

1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
CID 59909654
CID 59909654
CID 164582213
CID 164582213
(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95187712
(4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione
CID 162402033
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
CID 6954753
CID 6954753
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
(3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one
CID 10059075
1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56906621
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione
CID 132918334

Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[cyclohexene-4,3'-indole]-2'-one?
The IUPAC name of 1'-methylspiro[cyclohexene-4,3'-indole]-2'-one (CID 12024416) is 1'-methylspiro[cyclohexene-4,3'-indole]-2'-one.
What is the SMILES notation for 1'-methylspiro[cyclohexene-4,3'-indole]-2'-one?
The canonical SMILES for 1'-methylspiro[cyclohexene-4,3'-indole]-2'-one is CN1C(=O)C2(CC=CCC2)c2ccccc21.
What is the InChIKey of 1'-methylspiro[cyclohexene-4,3'-indole]-2'-one?
The InChIKey is OKRSAJFQPSCGJW-UHFFFAOYSA-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/h2-5,7-8H,6,9-10H2,1H3.
What are the key properties of 1'-methylspiro[cyclohexene-4,3'-indole]-2'-one?
1'-methylspiro[cyclohexene-4,3'-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 1'-methylspiro[cyclohexene-4,3'-indole]-2'-one is sourced from PubChem (CID 12024416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).