(3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one

C24H19NO — CID 122182254

IUPAC(3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one
SMILESO=C1/C(=C\C=C\c2ccccc2)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C24H19NO/c26-24-22(16-9-14-19-10-3-1-4-11-19)21-15-7-8-17-23(21)25(24)18-20-12-5-2-6-13-20/h1-17H,18H2/b14-9+,22-16-
InChIKeyVELVOYXHSYTAQT-GYPNLSDOSA-N
MW337.42 g/mol
LogP5.33
Rot. Bonds4

About (3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one

(3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one (PubChem CID 122182254) has the molecular formula C24H19NO and a molecular weight of 337.42 g/mol. Its IUPAC name is (3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one.

Molecular Properties

Compound Name(3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one
PubChem CID122182254
Molecular FormulaC24H19NO
Molecular Weight337.42 g/mol
Exact Mass337.15
IUPAC Name(3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one
SMILESO=C1/C(=C\C=C\c2ccccc2)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C24H19NO/c26-24-22(16-9-14-19-10-3-1-4-11-19)21-15-7-8-17-23(21)25(24)18-20-12-5-2-6-13-20/h1-17H,18H2/b14-9+,22-16-
InChIKeyVELVOYXHSYTAQT-GYPNLSDOSA-N
XLogP5.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one?
The IUPAC name of (3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one (CID 122182254) is (3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one.
What is the SMILES notation for (3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one?
The canonical SMILES for (3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one is O=C1/C(=C\C=C\c2ccccc2)c2ccccc2N1Cc1ccccc1.
What is the InChIKey of (3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one?
The InChIKey is VELVOYXHSYTAQT-GYPNLSDOSA-N. The full InChI is InChI=1S/C24H19NO/c26-24-22(16-9-14-19-10-3-1-4-11-19)21-15-7-8-17-23(21)25(24)18-20-12-5-2-6-13-20/h1-17H,18H2/b14-9+,22-16-.
What are the key properties of (3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one?
(3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one has a molecular weight of 337.42 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one is sourced from PubChem (CID 122182254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).