1-benzyl-2-methyl-2-phenylpyrrol-3-one

C18H17NO — CID 15728377

IUPAC1-benzyl-2-methyl-2-phenylpyrrol-3-one
SMILESCC1(c2ccccc2)C(=O)C=CN1Cc1ccccc1
InChIInChI=1S/C18H17NO/c1-18(16-10-6-3-7-11-16)17(20)12-13-19(18)14-15-8-4-2-5-9-15/h2-13H,14H2,1H3
InChIKeyGYQWEWWZDVACRK-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.50
Rot. Bonds3

About 1-benzyl-2-methyl-2-phenylpyrrol-3-one

1-benzyl-2-methyl-2-phenylpyrrol-3-one (PubChem CID 15728377) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-benzyl-2-methyl-2-phenylpyrrol-3-one.

Molecular Properties

Compound Name1-benzyl-2-methyl-2-phenylpyrrol-3-one
PubChem CID15728377
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-benzyl-2-methyl-2-phenylpyrrol-3-one
SMILESCC1(c2ccccc2)C(=O)C=CN1Cc1ccccc1
InChIInChI=1S/C18H17NO/c1-18(16-10-6-3-7-11-16)17(20)12-13-19(18)14-15-8-4-2-5-9-15/h2-13H,14H2,1H3
InChIKeyGYQWEWWZDVACRK-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-2-phenylpyrrol-3-one?
The IUPAC name of 1-benzyl-2-methyl-2-phenylpyrrol-3-one (CID 15728377) is 1-benzyl-2-methyl-2-phenylpyrrol-3-one.
What is the SMILES notation for 1-benzyl-2-methyl-2-phenylpyrrol-3-one?
The canonical SMILES for 1-benzyl-2-methyl-2-phenylpyrrol-3-one is CC1(c2ccccc2)C(=O)C=CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-2-phenylpyrrol-3-one?
The InChIKey is GYQWEWWZDVACRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-18(16-10-6-3-7-11-16)17(20)12-13-19(18)14-15-8-4-2-5-9-15/h2-13H,14H2,1H3.
What are the key properties of 1-benzyl-2-methyl-2-phenylpyrrol-3-one?
1-benzyl-2-methyl-2-phenylpyrrol-3-one has a molecular weight of 263.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-2-phenylpyrrol-3-one is sourced from PubChem (CID 15728377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).