1'-methylspiro[cyclopropane-1,2'-indole]-3'-one

C11H11NO — CID 3048859

IUPAC1'-methylspiro[cyclopropane-1,2'-indole]-3'-one
SMILESCN1c2ccccc2C(=O)C12CC2
InChIInChI=1S/C11H11NO/c1-12-9-5-3-2-4-8(9)10(13)11(12)6-7-11/h2-5H,6-7H2,1H3
InChIKeyLSFCXBLZHPRPCP-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.85
Rot. Bonds

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

1'-methylspiro[cyclopropane-1,2'-indole]-3'-one (PubChem CID 3048859) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 1'-methylspiro[cyclopropane-1,2'-indole]-3'-one.

Molecular Properties

Compound Name1'-methylspiro[cyclopropane-1,2'-indole]-3'-one
PubChem CID3048859
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name1'-methylspiro[cyclopropane-1,2'-indole]-3'-one
SMILESCN1c2ccccc2C(=O)C12CC2
InChIInChI=1S/C11H11NO/c1-12-9-5-3-2-4-8(9)10(13)11(12)6-7-11/h2-5H,6-7H2,1H3
InChIKeyLSFCXBLZHPRPCP-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[cyclopropane-1,2'-indole]-3'-one?
The IUPAC name of 1'-methylspiro[cyclopropane-1,2'-indole]-3'-one (CID 3048859) is 1'-methylspiro[cyclopropane-1,2'-indole]-3'-one.
What is the SMILES notation for 1'-methylspiro[cyclopropane-1,2'-indole]-3'-one?
The canonical SMILES for 1'-methylspiro[cyclopropane-1,2'-indole]-3'-one is CN1c2ccccc2C(=O)C12CC2.
What is the InChIKey of 1'-methylspiro[cyclopropane-1,2'-indole]-3'-one?
The InChIKey is LSFCXBLZHPRPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-12-9-5-3-2-4-8(9)10(13)11(12)6-7-11/h2-5H,6-7H2,1H3.
What are the key properties of 1'-methylspiro[cyclopropane-1,2'-indole]-3'-one?
1'-methylspiro[cyclopropane-1,2'-indole]-3'-one has a molecular weight of 173.22 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[cyclopropane-1,2'-indole]-3'-one is sourced from PubChem (CID 3048859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).