N-phenyl-N-prop-1-enylprop-2-enamide

C12H13NO — CID 175394581

IUPACN-phenyl-N-prop-1-enylprop-2-enamide
SMILESC=CC(=O)N(C=CC)c1ccccc1
InChIInChI=1S/C12H13NO/c1-3-10-13(12(14)4-2)11-8-6-5-7-9-11/h3-10H,2H2,1H3
InChIKeyLFZUKNRQPNHPJQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.74
Rot. Bonds3

About N-phenyl-N-prop-1-enylprop-2-enamide

N-phenyl-N-prop-1-enylprop-2-enamide (PubChem CID 175394581) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is N-phenyl-N-prop-1-enylprop-2-enamide.

Molecular Properties

Compound NameN-phenyl-N-prop-1-enylprop-2-enamide
PubChem CID175394581
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC NameN-phenyl-N-prop-1-enylprop-2-enamide
SMILESC=CC(=O)N(C=CC)c1ccccc1
InChIInChI=1S/C12H13NO/c1-3-10-13(12(14)4-2)11-8-6-5-7-9-11/h3-10H,2H2,1H3
InChIKeyLFZUKNRQPNHPJQ-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide
CID 142881144
ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide
CID 142881143
N-hydroxy-N-phenylprop-2-enamide
CID 11367183
N-methoxy-N-phenylprop-2-enamide
CID 11816178
N-butyl-N-phenylprop-2-enamide
CID 43619884
N-(2-methylbutan-2-yl)-N-phenylprop-2-enamide
CID 139520013
[4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate
CID 70610761
(E)-N-ethenyl-N,3-diphenylprop-2-enamide
CID 10377378
ethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene
CID 145141205
N,N-bis[(1R)-1-phenylethyl]prop-2-enamide
CID 12031722
tert-butyl N-[(1E)-buta-1,3-dienyl]-N-phenylcarbamate
CID 122218361
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide
CID 11413337

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-prop-1-enylprop-2-enamide?
The IUPAC name of N-phenyl-N-prop-1-enylprop-2-enamide (CID 175394581) is N-phenyl-N-prop-1-enylprop-2-enamide.
What is the SMILES notation for N-phenyl-N-prop-1-enylprop-2-enamide?
The canonical SMILES for N-phenyl-N-prop-1-enylprop-2-enamide is C=CC(=O)N(C=CC)c1ccccc1.
What is the InChIKey of N-phenyl-N-prop-1-enylprop-2-enamide?
The InChIKey is LFZUKNRQPNHPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-10-13(12(14)4-2)11-8-6-5-7-9-11/h3-10H,2H2,1H3.
What are the key properties of N-phenyl-N-prop-1-enylprop-2-enamide?
N-phenyl-N-prop-1-enylprop-2-enamide has a molecular weight of 187.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-prop-1-enylprop-2-enamide is sourced from PubChem (CID 175394581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).