(4-nitrosoanilino) (E)-3-phenylprop-2-enoate

C15H12N2O3 — CID 6162159

IUPAC(4-nitrosoanilino) (E)-3-phenylprop-2-enoate
SMILESO=Nc1ccc(NOC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H12N2O3/c18-15(11-6-12-4-2-1-3-5-12)20-17-14-9-7-13(16-19)8-10-14/h1-11,17H/b11-6+
InChIKeyCLBMDFYHCJWMJK-IZZDOVSWSA-N
MW268.27 g/mol
LogP3.67
Rot. Bonds5

About (4-nitrosoanilino) (E)-3-phenylprop-2-enoate

(4-nitrosoanilino) (E)-3-phenylprop-2-enoate (PubChem CID 6162159) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is (4-nitrosoanilino) (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(4-nitrosoanilino) (E)-3-phenylprop-2-enoate
PubChem CID6162159
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name(4-nitrosoanilino) (E)-3-phenylprop-2-enoate
SMILESO=Nc1ccc(NOC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H12N2O3/c18-15(11-6-12-4-2-1-3-5-12)20-17-14-9-7-13(16-19)8-10-14/h1-11,17H/b11-6+
InChIKeyCLBMDFYHCJWMJK-IZZDOVSWSA-N
XLogP3.67
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-nitrosoanilino) (E)-3-phenylprop-2-enoate 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 (4-nitrosoanilino) (E)-3-phenylprop-2-enoate?
The IUPAC name of (4-nitrosoanilino) (E)-3-phenylprop-2-enoate (CID 6162159) is (4-nitrosoanilino) (E)-3-phenylprop-2-enoate.
What is the SMILES notation for (4-nitrosoanilino) (E)-3-phenylprop-2-enoate?
The canonical SMILES for (4-nitrosoanilino) (E)-3-phenylprop-2-enoate is O=Nc1ccc(NOC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (4-nitrosoanilino) (E)-3-phenylprop-2-enoate?
The InChIKey is CLBMDFYHCJWMJK-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15(11-6-12-4-2-1-3-5-12)20-17-14-9-7-13(16-19)8-10-14/h1-11,17H/b11-6+.
What are the key properties of (4-nitrosoanilino) (E)-3-phenylprop-2-enoate?
(4-nitrosoanilino) (E)-3-phenylprop-2-enoate has a molecular weight of 268.27 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrosoanilino) (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 6162159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).