3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one

C20H19NO2 — CID 177493075

IUPAC3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one
SMILESCOc1ccc(C2C=CCC23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C20H19NO2/c1-21-18-8-4-3-6-17(18)20(19(21)22)13-5-7-16(20)14-9-11-15(23-2)12-10-14/h3-12,16H,13H2,1-2H3
InChIKeyJONQLRFQEVAWFL-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.65
Rot. Bonds2

About 3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one

3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one (PubChem CID 177493075) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one
PubChem CID177493075
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one
SMILESCOc1ccc(C2C=CCC23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C20H19NO2/c1-21-18-8-4-3-6-17(18)20(19(21)22)13-5-7-16(20)14-9-11-15(23-2)12-10-14/h3-12,16H,13H2,1-2H3
InChIKeyJONQLRFQEVAWFL-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84719129
(1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 71606779
(3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one
CID 132608894
2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one
CID 14244691
(2R,6S)-2-[(4-methoxyphenoxy)methyl]-1',4-dimethylspiro[2,5-dihydropyran-6,3'-indole]-2'-one
CID 73440849
(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one
CID 695696
2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84726602
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
methyl (3S,4S)-5'-methoxy-1'-methyl-2'-oxo-4-phenylspiro[cyclohexa-1,5-diene-3,3'-indole]-1-carboxylate
CID 122224990
N-[[(3R)-1,3-dimethyl-2-oxoindol-3-yl]methyl]-4-methoxybenzamide
CID 139187913
(2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 7032098
4-(4-methoxyphenyl)-1'-methyl-3-phenylselanylspiro[2H-furan-5,3'-indole]-2'-one
CID 57381170

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one?
The IUPAC name of 3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one (CID 177493075) is 3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one is COc1ccc(C2C=CCC23C(=O)N(C)c2ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one?
The InChIKey is JONQLRFQEVAWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-21-18-8-4-3-6-17(18)20(19(21)22)13-5-7-16(20)14-9-11-15(23-2)12-10-14/h3-12,16H,13H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one?
3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one has a molecular weight of 305.38 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one is sourced from PubChem (CID 177493075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).