(4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate

C17H15N3O2 — CID 175474947

IUPAC(4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate
SMILESC=CNC(=C)C(=O)Oc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H15N3O2/c1-3-18-13(2)17(21)22-16-11-9-15(10-12-16)20-19-14-7-5-4-6-8-14/h3-12,18H,1-2H2/b20-19+
InChIKeyHKFABKSEJFGTEG-FMQUCBEESA-N
MW293.33 g/mol
LogP4.25
Rot. Bonds6

About (4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate

(4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate (PubChem CID 175474947) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate.

Molecular Properties

Compound Name(4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate
PubChem CID175474947
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate
SMILESC=CNC(=C)C(=O)Oc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H15N3O2/c1-3-18-13(2)17(21)22-16-11-9-15(10-12-16)20-19-14-7-5-4-6-8-14/h3-12,18H,1-2H2/b20-19+
InChIKeyHKFABKSEJFGTEG-FMQUCBEESA-N
XLogP4.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-phenyldiazenylphenyl) 2-(ethenylamino)prop-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

Related Compounds

phenyl 2-iodoprop-2-enoate
CID 71551534
3-phenoxycarbonylbut-3-enoic acid
CID 23499954
N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 21498516
3-(4-phenyldiazenylphenoxy)prop-2-enoic acid
CID 91565799
[4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate
CID 138481562
phenyl 2-phenoxyprop-2-enoate
CID 141223374
phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate
CID 132515552
phenyl N-phenyldiazenylcarbamate
CID 137286492
carboxy-(4-phenyldiazenylphenyl)carbamic acid
CID 175154168
diphenyldiazene;urea
CID 175083568
(4-phenyldiazenylphenyl) dihydrogen phosphate
CID 21275212
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455

Frequently Asked Questions

What is the IUPAC name of (4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate?
The IUPAC name of (4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate (CID 175474947) is (4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate.
What is the SMILES notation for (4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate?
The canonical SMILES for (4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate is C=CNC(=C)C(=O)Oc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of (4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate?
The InChIKey is HKFABKSEJFGTEG-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N3O2/c1-3-18-13(2)17(21)22-16-11-9-15(10-12-16)20-19-14-7-5-4-6-8-14/h3-12,18H,1-2H2/b20-19+.
What are the key properties of (4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate?
(4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate has a molecular weight of 293.33 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyldiazenylphenyl) 2-(ethenylamino)prop-2-enoate is sourced from PubChem (CID 175474947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).