2-ethenyl-2-phenylbut-3-enamide

C12H13NO — CID 121008159

IUPAC2-ethenyl-2-phenylbut-3-enamide
SMILESC=CC(C=C)(C(N)=O)c1ccccc1
InChIInChI=1S/C12H13NO/c1-3-12(4-2,11(13)14)10-8-6-5-7-9-10/h3-9H,1-2H2,(H2,13,14)
InChIKeySDXYXWPEVDPKTR-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.78
Rot. Bonds4

About 2-ethenyl-2-phenylbut-3-enamide

2-ethenyl-2-phenylbut-3-enamide (PubChem CID 121008159) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-ethenyl-2-phenylbut-3-enamide.

Molecular Properties

Compound Name2-ethenyl-2-phenylbut-3-enamide
PubChem CID121008159
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-ethenyl-2-phenylbut-3-enamide
SMILESC=CC(C=C)(C(N)=O)c1ccccc1
InChIInChI=1S/C12H13NO/c1-3-12(4-2,11(13)14)10-8-6-5-7-9-10/h3-9H,1-2H2,(H2,13,14)
InChIKeySDXYXWPEVDPKTR-UHFFFAOYSA-N
XLogP1.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

silyl 2-ethenyl-2-phenylbut-3-enoate
CID 123631953
1,1-diphenylethylbenzene;prop-2-enamide
CID 174910563
2-(2-ethenylphenyl)-2-hydroxy-2-phenylacetamide
CID 139691139
2-amino-2-hydroxy-2-phenylacetamide
CID 149436781
4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione
CID 118555479
(1-ethenyl-1-phenylprop-2-enoxy)benzene
CID 67928175
2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 68774111
benzamide;ethene
CID 143479548
2,2-diphenylbut-3-ynamide
CID 102000055
2-oxo-3,3,3-triphenylpropanamide
CID 174934653
1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine
CID 67646967
4-oxo-2-phenyl-2-pyridin-3-ylbutanamide
CID 174457526

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-phenylbut-3-enamide?
The IUPAC name of 2-ethenyl-2-phenylbut-3-enamide (CID 121008159) is 2-ethenyl-2-phenylbut-3-enamide.
What is the SMILES notation for 2-ethenyl-2-phenylbut-3-enamide?
The canonical SMILES for 2-ethenyl-2-phenylbut-3-enamide is C=CC(C=C)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-ethenyl-2-phenylbut-3-enamide?
The InChIKey is SDXYXWPEVDPKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-12(4-2,11(13)14)10-8-6-5-7-9-10/h3-9H,1-2H2,(H2,13,14).
What are the key properties of 2-ethenyl-2-phenylbut-3-enamide?
2-ethenyl-2-phenylbut-3-enamide has a molecular weight of 187.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-phenylbut-3-enamide is sourced from PubChem (CID 121008159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).