(E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide

C12H13NO — CID 134845600

IUPAC(E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide
SMILESC/C=C\NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H13NO/c1-2-10-13-12(14)9-8-11-6-4-3-5-7-11/h2-10H,1H3,(H,13,14)/b9-8+,10-2-
InChIKeyIPVCMTXQPZTHBA-JOOSIWDTSA-N
MW187.24 g/mol
LogP2.35
Rot. Bonds3

About (E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide

(E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide (PubChem CID 134845600) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide
PubChem CID134845600
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide
SMILESC/C=C\NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H13NO/c1-2-10-13-12(14)9-8-11-6-4-3-5-7-11/h2-10H,1H3,(H,13,14)/b9-8+,10-2-
InChIKeyIPVCMTXQPZTHBA-JOOSIWDTSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide
CID 174345393
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(E)-N-chloro-3-phenylprop-2-enamide
CID 18537372
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
O-methyl N-(3-phenylprop-2-enoyl)carbamothioate
CID 2826352
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide
CID 70432340
3-oxo-N-[(E)-3-phenylprop-2-enoyl]butanamide
CID 12682099
2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 102034049
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
N-(2-phenylethenyl)acetamide
CID 54032077

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide (CID 134845600) is (E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide is C/C=C\NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide?
The InChIKey is IPVCMTXQPZTHBA-JOOSIWDTSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-10-13-12(14)9-8-11-6-4-3-5-7-11/h2-10H,1H3,(H,13,14)/b9-8+,10-2-.
What are the key properties of (E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide?
(E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide has a molecular weight of 187.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide is sourced from PubChem (CID 134845600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).