(3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one

C20H22N2O — CID 143967483

IUPAC(3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one
SMILESCC/C(Nc1ccccc1)=C1\CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C20H22N2O/c1-2-19(21-17-11-7-4-8-12-17)18-13-14-22(20(18)23)15-16-9-5-3-6-10-16/h3-12,21H,2,13-15H2,1H3/b19-18-
InChIKeyBNTBODSZSNJXCL-HNENSFHCSA-N
MW306.41 g/mol
LogP4.20
Rot. Bonds5

About (3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one

(3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one (PubChem CID 143967483) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one.

Molecular Properties

Compound Name(3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one
PubChem CID143967483
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one
SMILESCC/C(Nc1ccccc1)=C1\CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C20H22N2O/c1-2-19(21-17-11-7-4-8-12-17)18-13-14-22(20(18)23)15-16-9-5-3-6-10-16/h3-12,21H,2,13-15H2,1H3/b19-18-
InChIKeyBNTBODSZSNJXCL-HNENSFHCSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 166818167
1-benzylpyrrolidin-2-one;diethyl cyclopropane-1,1-dicarboxylate;ethyl 1-[(Z)-(1-benzyl-2-oxopyrrolidin-3-ylidene)-hydroxymethyl]cyclopropane-1-carboxylate
CID 161056616
(3E)-1-benzyl-3-[1-(N-benzylanilino)prop-2-enylidene]pyrrolidin-2-one
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CID 142485528
1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one
CID 102467762
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 53063644
2-benzyl-6-methyl-3,4-dihydroisoquinolin-1-one
CID 58318227
1-benzyl-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one
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tert-butyl N-(1-benzyl-7-oxo-3,4-dihydro-2H-azepin-6-yl)carbamate
CID 102179434
7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione
CID 10538869
2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide
CID 53240006
ethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate
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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one?
The IUPAC name of (3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one (CID 143967483) is (3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one.
What is the SMILES notation for (3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one?
The canonical SMILES for (3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one is CC/C(Nc1ccccc1)=C1\CCN(Cc2ccccc2)C1=O.
What is the InChIKey of (3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one?
The InChIKey is BNTBODSZSNJXCL-HNENSFHCSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-19(21-17-11-7-4-8-12-17)18-13-14-22(20(18)23)15-16-9-5-3-6-10-16/h3-12,21H,2,13-15H2,1H3/b19-18-.
What are the key properties of (3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one?
(3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one has a molecular weight of 306.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one is sourced from PubChem (CID 143967483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).