1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one

C12H13NO — CID 102104060

IUPAC1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCc1cccc2c1N(C)C(=O)C21CC1
InChIInChI=1S/C12H13NO/c1-8-4-3-5-9-10(8)13(2)11(14)12(9)6-7-12/h3-5H,6-7H2,1-2H3
InChIKeyDBTGFMDPLSBQMU-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.00
Rot. Bonds

About 1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one

1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 102104060) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID102104060
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCc1cccc2c1N(C)C(=O)C21CC1
InChIInChI=1S/C12H13NO/c1-8-4-3-5-9-10(8)13(2)11(14)12(9)6-7-12/h3-5H,6-7H2,1-2H3
InChIKeyDBTGFMDPLSBQMU-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane
CID 145125110
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
3-(2,2-dibromoethenyl)-1,3,7-trimethylindol-2-one
CID 177474950
1,3,7-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]indol-2-one
CID 71814638
1',7'-diethylspiro[cyclopropane-1,3'-indole]-2'-one
CID 102104057
7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione
CID 132918327
1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;ethane
CID 176997372
CID 164582213
CID 164582213
CID 59909654
CID 59909654
1',4'-dimethylspiro[1,2-dihydroindene-3,3'-indole]-2'-one
CID 102369514
1,2,2,8-tetramethyl-3H-quinolin-4-one
CID 54046594
1,5,6,10-tetramethylphenazine
CID 20660475

Frequently Asked Questions

What is the IUPAC name of 1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one (CID 102104060) is 1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one is Cc1cccc2c1N(C)C(=O)C21CC1.
What is the InChIKey of 1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is DBTGFMDPLSBQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-4-3-5-9-10(8)13(2)11(14)12(9)6-7-12/h3-5H,6-7H2,1-2H3.
What are the key properties of 1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one?
1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 187.24 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 102104060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).