(2-methylindolizin-3-yl)-(4-phenylphenyl)methanone

C22H17NO — CID 2322051

IUPAC(2-methylindolizin-3-yl)-(4-phenylphenyl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H17NO/c1-16-15-20-9-5-6-14-23(20)21(16)22(24)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-15H,1H3
InChIKeyOWTUQYPKIKVICK-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.15
Rot. Bonds3

About (2-methylindolizin-3-yl)-(4-phenylphenyl)methanone

(2-methylindolizin-3-yl)-(4-phenylphenyl)methanone (PubChem CID 2322051) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is (2-methylindolizin-3-yl)-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name(2-methylindolizin-3-yl)-(4-phenylphenyl)methanone
PubChem CID2322051
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name(2-methylindolizin-3-yl)-(4-phenylphenyl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H17NO/c1-16-15-20-9-5-6-14-23(20)21(16)22(24)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-15H,1H3
InChIKeyOWTUQYPKIKVICK-UHFFFAOYSA-N
XLogP5.15
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylindolizin-3-yl)-(4-phenylphenyl)methanone?
The IUPAC name of (2-methylindolizin-3-yl)-(4-phenylphenyl)methanone (CID 2322051) is (2-methylindolizin-3-yl)-(4-phenylphenyl)methanone.
What is the SMILES notation for (2-methylindolizin-3-yl)-(4-phenylphenyl)methanone?
The canonical SMILES for (2-methylindolizin-3-yl)-(4-phenylphenyl)methanone is Cc1cc2ccccn2c1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2-methylindolizin-3-yl)-(4-phenylphenyl)methanone?
The InChIKey is OWTUQYPKIKVICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-16-15-20-9-5-6-14-23(20)21(16)22(24)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-15H,1H3.
What are the key properties of (2-methylindolizin-3-yl)-(4-phenylphenyl)methanone?
(2-methylindolizin-3-yl)-(4-phenylphenyl)methanone has a molecular weight of 311.38 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylindolizin-3-yl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 2322051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).