1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one

C16H12N2O — CID 132527977

IUPAC1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one
SMILESCN1C(=O)C2(N=C2c2ccccc2)c2ccccc21
InChIInChI=1S/C16H12N2O/c1-18-13-10-6-5-9-12(13)16(15(18)19)14(17-16)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyJVFBRKBBYGDMDN-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.36
Rot. Bonds1

About 1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one

1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one (PubChem CID 132527977) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one
PubChem CID132527977
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one
SMILESCN1C(=O)C2(N=C2c2ccccc2)c2ccccc21
InChIInChI=1S/C16H12N2O/c1-18-13-10-6-5-9-12(13)16(15(18)19)14(17-16)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyJVFBRKBBYGDMDN-UHFFFAOYSA-N
XLogP2.36
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one?
The IUPAC name of 1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one (CID 132527977) is 1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one?
The canonical SMILES for 1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one is CN1C(=O)C2(N=C2c2ccccc2)c2ccccc21.
What is the InChIKey of 1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one?
The InChIKey is JVFBRKBBYGDMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-18-13-10-6-5-9-12(13)16(15(18)19)14(17-16)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one?
1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one has a molecular weight of 248.29 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one is sourced from PubChem (CID 132527977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).