1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione

C15H17NO2 — CID 71513681

IUPAC1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione
SMILESCN1C(=O)C2(CCCCCC2=O)c2ccccc21
InChIInChI=1S/C15H17NO2/c1-16-12-8-5-4-7-11(12)15(14(16)18)10-6-2-3-9-13(15)17/h4-5,7-8H,2-3,6,9-10H2,1H3
InChIKeyJXCSAHCYJKKVGO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.43
Rot. Bonds

About 1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione

1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione (PubChem CID 71513681) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione.

Molecular Properties

Compound Name1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione
PubChem CID71513681
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione
SMILESCN1C(=O)C2(CCCCCC2=O)c2ccccc21
InChIInChI=1S/C15H17NO2/c1-16-12-8-5-4-7-11(12)15(14(16)18)10-6-2-3-9-13(15)17/h4-5,7-8H,2-3,6,9-10H2,1H3
InChIKeyJXCSAHCYJKKVGO-UHFFFAOYSA-N
XLogP2.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
CID 59909654
CID 59909654
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95187712
1',4'-dimethylspiro[1,2-dihydroindene-3,3'-indole]-2'-one
CID 102369514
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914352
(3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one
CID 134964012
1''-methyldispiro[cyclopentane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one
CID 4267368
CID 6954753
CID 6954753
1'-methylspiro[cyclohexene-4,3'-indole]-2'-one
CID 12024416
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073

Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione?
The IUPAC name of 1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione (CID 71513681) is 1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione.
What is the SMILES notation for 1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione?
The canonical SMILES for 1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione is CN1C(=O)C2(CCCCCC2=O)c2ccccc21.
What is the InChIKey of 1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione?
The InChIKey is JXCSAHCYJKKVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16-12-8-5-4-7-11(12)15(14(16)18)10-6-2-3-9-13(15)17/h4-5,7-8H,2-3,6,9-10H2,1H3.
What are the key properties of 1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione?
1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione has a molecular weight of 243.31 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione is sourced from PubChem (CID 71513681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).