4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one

C12H13NO — CID 130049258

IUPAC4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCc1ccc(C)c2c1NC(=O)C21CC1
InChIInChI=1S/C12H13NO/c1-7-3-4-8(2)10-9(7)12(5-6-12)11(14)13-10/h3-4H,5-6H2,1-2H3,(H,13,14)
InChIKeyDVBQDUNDQCODSQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.29
Rot. Bonds

About 4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one

4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 130049258) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID130049258
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCc1ccc(C)c2c1NC(=O)C21CC1
InChIInChI=1S/C12H13NO/c1-7-3-4-8(2)10-9(7)12(5-6-12)11(14)13-10/h3-4H,5-6H2,1-2H3,(H,13,14)
InChIKeyDVBQDUNDQCODSQ-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 130049258) is 4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one is Cc1ccc(C)c2c1NC(=O)C21CC1.
What is the InChIKey of 4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is DVBQDUNDQCODSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-7-3-4-8(2)10-9(7)12(5-6-12)11(14)13-10/h3-4H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one?
4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 187.24 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 130049258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).