1-methyl-3,3,5-triphenylpyrrol-2-one

C23H19NO — CID 44668610

IUPAC1-methyl-3,3,5-triphenylpyrrol-2-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C23H19NO/c1-24-21(18-11-5-2-6-12-18)17-23(22(24)25,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3
InChIKeyCYNNZUKBFVAPAF-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.49
Rot. Bonds3

About 1-methyl-3,3,5-triphenylpyrrol-2-one

1-methyl-3,3,5-triphenylpyrrol-2-one (PubChem CID 44668610) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-methyl-3,3,5-triphenylpyrrol-2-one.

Molecular Properties

Compound Name1-methyl-3,3,5-triphenylpyrrol-2-one
PubChem CID44668610
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name1-methyl-3,3,5-triphenylpyrrol-2-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C23H19NO/c1-24-21(18-11-5-2-6-12-18)17-23(22(24)25,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3
InChIKeyCYNNZUKBFVAPAF-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
CID 207584
N-benzyl-N-isopropyl-3-phenylpropanamide
CID 875288
N-cyclohexyl-N-methyl-4-phenylbenzamide
CID 1226772
N-Benzyl-N-methyl-2-phenylacetamide
CID 692800
Spiro-carboxamide scaffold, 12
CID 44143298
N-benzyl-N-methyl-3-phenylpropanamide
CID 670103
1-Benzyl-4-phenylpyrrolidin-2-one
CID 2843346
N-benzyl-2,2-diphenylacetamide
CID 349569
N-Benzyl-4-tert-butyl-N-methylbenzamide
CID 694646
N-benzyl-N-tert-butyl-3-phenylpropanamide
CID 1319993
2-(4-biphenylyl)-N-(4-methylbenzyl)acetamide
CID 2185046
1-(4-Benzylpiperazin-1-yl)-2-phenylbutan-1-one
CID 2885865

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,3,5-triphenylpyrrol-2-one?
The IUPAC name of 1-methyl-3,3,5-triphenylpyrrol-2-one (CID 44668610) is 1-methyl-3,3,5-triphenylpyrrol-2-one.
What is the SMILES notation for 1-methyl-3,3,5-triphenylpyrrol-2-one?
The canonical SMILES for 1-methyl-3,3,5-triphenylpyrrol-2-one is CN1C(=O)C(c2ccccc2)(c2ccccc2)C=C1c1ccccc1.
What is the InChIKey of 1-methyl-3,3,5-triphenylpyrrol-2-one?
The InChIKey is CYNNZUKBFVAPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-24-21(18-11-5-2-6-12-18)17-23(22(24)25,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3.
What are the key properties of 1-methyl-3,3,5-triphenylpyrrol-2-one?
1-methyl-3,3,5-triphenylpyrrol-2-one has a molecular weight of 325.41 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,3,5-triphenylpyrrol-2-one is sourced from PubChem (CID 44668610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).