(E)-4-(4-methylphenyl)but-2-enamide

C11H13NO — CID 131236926

IUPAC(E)-4-(4-methylphenyl)but-2-enamide
SMILESCc1ccc(C/C=C/C(N)=O)cc1
InChIInChI=1S/C11H13NO/c1-9-5-7-10(8-6-9)3-2-4-11(12)13/h2,4-8H,3H2,1H3,(H2,12,13)/b4-2+
InChIKeyTVYWQMVUHBVBKX-DUXPYHPUSA-N
MW175.23 g/mol
LogP1.58
Rot. Bonds3

About (E)-4-(4-methylphenyl)but-2-enamide

(E)-4-(4-methylphenyl)but-2-enamide (PubChem CID 131236926) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (E)-4-(4-methylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(4-methylphenyl)but-2-enamide
PubChem CID131236926
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(E)-4-(4-methylphenyl)but-2-enamide
SMILESCc1ccc(C/C=C/C(N)=O)cc1
InChIInChI=1S/C11H13NO/c1-9-5-7-10(8-6-9)3-2-4-11(12)13/h2,4-8H,3H2,1H3,(H2,12,13)/b4-2+
InChIKeyTVYWQMVUHBVBKX-DUXPYHPUSA-N
XLogP1.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4-(4-methylphenyl)but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2E)-4-chloro-5-methylhexa-2,4-dienyl]-4-methylbenzene
CID 102046771
4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide
CID 87587241
ethyl (E)-4-(4-tert-butylphenyl)but-2-enoate
CID 72737572
1-hex-2-enyl-4-methylbenzene
CID 54148468
1-methyl-4-(2-sulfonylethyl)benzene
CID 57223053
acetic acid;guanidine;toluene
CID 160673337
1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 123851701
1-methyl-4-(5-methylhex-2-enyl)benzene
CID 91610142
ethane;3-(4-methylphenyl)propanamide
CID 142510251
1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene
CID 161223242
(2Z,7E)-1,9-bis(4-hydroxyphenyl)nona-2,7-diene-4,6-dione
CID 131752689
4-(4-methoxyphenyl)but-2-enoic acid
CID 57252854

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-methylphenyl)but-2-enamide?
The IUPAC name of (E)-4-(4-methylphenyl)but-2-enamide (CID 131236926) is (E)-4-(4-methylphenyl)but-2-enamide.
What is the SMILES notation for (E)-4-(4-methylphenyl)but-2-enamide?
The canonical SMILES for (E)-4-(4-methylphenyl)but-2-enamide is Cc1ccc(C/C=C/C(N)=O)cc1.
What is the InChIKey of (E)-4-(4-methylphenyl)but-2-enamide?
The InChIKey is TVYWQMVUHBVBKX-DUXPYHPUSA-N. The full InChI is InChI=1S/C11H13NO/c1-9-5-7-10(8-6-9)3-2-4-11(12)13/h2,4-8H,3H2,1H3,(H2,12,13)/b4-2+.
What are the key properties of (E)-4-(4-methylphenyl)but-2-enamide?
(E)-4-(4-methylphenyl)but-2-enamide has a molecular weight of 175.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-methylphenyl)but-2-enamide is sourced from PubChem (CID 131236926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).