(E)-3-phenyl-N-prop-2-enylbut-2-enamide

C13H15NO — CID 6435359

IUPAC(E)-3-phenyl-N-prop-2-enylbut-2-enamide
SMILESC=CCNC(=O)/C=C(\C)c1ccccc1
InChIInChI=1S/C13H15NO/c1-3-9-14-13(15)10-11(2)12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3,(H,14,15)/b11-10+
InChIKeyFISBEUIAUMZNMV-ZHACJKMWSA-N
MW201.27 g/mol
LogP2.39
Rot. Bonds4

About (E)-3-phenyl-N-prop-2-enylbut-2-enamide

(E)-3-phenyl-N-prop-2-enylbut-2-enamide (PubChem CID 6435359) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (E)-3-phenyl-N-prop-2-enylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-prop-2-enylbut-2-enamide
PubChem CID6435359
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(E)-3-phenyl-N-prop-2-enylbut-2-enamide
SMILESC=CCNC(=O)/C=C(\C)c1ccccc1
InChIInChI=1S/C13H15NO/c1-3-9-14-13(15)10-11(2)12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3,(H,14,15)/b11-10+
InChIKeyFISBEUIAUMZNMV-ZHACJKMWSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide
CID 110309509
(Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide
CID 3033129
(E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide
CID 110297035
4-phenylpent-3-en-2-one
CID 594380
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide
CID 110912770
N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide
CID 110309408
ethane;4-phenylpent-3-en-2-one
CID 123324566
2,4-dioxo-4-phenyl-N-prop-2-enylbutanamide
CID 24834538
methyl (E)-3-phenylbut-2-enoate
CID 5354835
3-ethoxy-5-phenylhexa-2,4-dienoic acid
CID 71373190
3-phenylbut-2-enoate
CID 6995278
(E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide
CID 110302117

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-prop-2-enylbut-2-enamide?
The IUPAC name of (E)-3-phenyl-N-prop-2-enylbut-2-enamide (CID 6435359) is (E)-3-phenyl-N-prop-2-enylbut-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-prop-2-enylbut-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-prop-2-enylbut-2-enamide is C=CCNC(=O)/C=C(\C)c1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-prop-2-enylbut-2-enamide?
The InChIKey is FISBEUIAUMZNMV-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-9-14-13(15)10-11(2)12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3,(H,14,15)/b11-10+.
What are the key properties of (E)-3-phenyl-N-prop-2-enylbut-2-enamide?
(E)-3-phenyl-N-prop-2-enylbut-2-enamide has a molecular weight of 201.27 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-prop-2-enylbut-2-enamide is sourced from PubChem (CID 6435359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).