(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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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).