(Z)-2-[(E)-2-phenylethenyl]but-2-enediamide

C12H12N2O2 — CID 141243424

IUPAC(Z)-2-[(E)-2-phenylethenyl]but-2-enediamide
SMILESNC(=O)/C=C(/C=C/c1ccccc1)C(N)=O
InChIInChI=1S/C12H12N2O2/c13-11(15)8-10(12(14)16)7-6-9-4-2-1-3-5-9/h1-8H,(H2,13,15)(H2,14,16)/b7-6+,10-8-
InChIKeyPAEBCFVPWKYXGQ-QDJLDCPTSA-N
MW216.24 g/mol
LogP0.60
Rot. Bonds4

About (Z)-2-[(E)-2-phenylethenyl]but-2-enediamide

(Z)-2-[(E)-2-phenylethenyl]but-2-enediamide (PubChem CID 141243424) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (Z)-2-[(E)-2-phenylethenyl]but-2-enediamide.

Molecular Properties

Compound Name(Z)-2-[(E)-2-phenylethenyl]but-2-enediamide
PubChem CID141243424
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(Z)-2-[(E)-2-phenylethenyl]but-2-enediamide
SMILESNC(=O)/C=C(/C=C/c1ccccc1)C(N)=O
InChIInChI=1S/C12H12N2O2/c13-11(15)8-10(12(14)16)7-6-9-4-2-1-3-5-9/h1-8H,(H2,13,15)(H2,14,16)/b7-6+,10-8-
InChIKeyPAEBCFVPWKYXGQ-QDJLDCPTSA-N
XLogP0.60
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenylprop-2-enamide;prop-2-enamide
CID 66955302
(Z)-2-[(E)-2-phenylethenyl]but-2-enedioic acid
CID 57461899
N,N-dideuterio-3-phenylprop-2-enamide
CID 138396103
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
3-phenyl-2-(sulfonylmethyl)prop-2-enamide
CID 87661438
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(E)-2-phenylethenyl]but-2-enediamide?
The IUPAC name of (Z)-2-[(E)-2-phenylethenyl]but-2-enediamide (CID 141243424) is (Z)-2-[(E)-2-phenylethenyl]but-2-enediamide.
What is the SMILES notation for (Z)-2-[(E)-2-phenylethenyl]but-2-enediamide?
The canonical SMILES for (Z)-2-[(E)-2-phenylethenyl]but-2-enediamide is NC(=O)/C=C(/C=C/c1ccccc1)C(N)=O.
What is the InChIKey of (Z)-2-[(E)-2-phenylethenyl]but-2-enediamide?
The InChIKey is PAEBCFVPWKYXGQ-QDJLDCPTSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-11(15)8-10(12(14)16)7-6-9-4-2-1-3-5-9/h1-8H,(H2,13,15)(H2,14,16)/b7-6+,10-8-.
What are the key properties of (Z)-2-[(E)-2-phenylethenyl]but-2-enediamide?
(Z)-2-[(E)-2-phenylethenyl]but-2-enediamide has a molecular weight of 216.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(E)-2-phenylethenyl]but-2-enediamide is sourced from PubChem (CID 141243424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).