(E)-3-(4-chlorophenyl)-2-methylbut-2-enamide

C11H12ClNO — CID 3033653

IUPAC(E)-3-(4-chlorophenyl)-2-methylbut-2-enamide
SMILESC/C(C(N)=O)=C(/C)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO/c1-7(8(2)11(13)14)9-3-5-10(12)6-4-9/h3-6H,1-2H3,(H2,13,14)/b8-7+
InChIKeyQHPCRMAWOBQJGS-BQYQJAHWSA-N
MW209.68 g/mol
LogP2.62
Rot. Bonds2

About (E)-3-(4-chlorophenyl)-2-methylbut-2-enamide

(E)-3-(4-chlorophenyl)-2-methylbut-2-enamide (PubChem CID 3033653) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-2-methylbut-2-enamide
PubChem CID3033653
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name(E)-3-(4-chlorophenyl)-2-methylbut-2-enamide
SMILESC/C(C(N)=O)=C(/C)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO/c1-7(8(2)11(13)14)9-3-5-10(12)6-4-9/h3-6H,1-2H3,(H2,13,14)/b8-7+
InChIKeyQHPCRMAWOBQJGS-BQYQJAHWSA-N
XLogP2.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.62
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-2-methylbut-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-2-methylbut-2-enamide (CID 3033653) is (E)-3-(4-chlorophenyl)-2-methylbut-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-2-methylbut-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-2-methylbut-2-enamide is C/C(C(N)=O)=C(/C)c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-2-methylbut-2-enamide?
The InChIKey is QHPCRMAWOBQJGS-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-7(8(2)11(13)14)9-3-5-10(12)6-4-9/h3-6H,1-2H3,(H2,13,14)/b8-7+.
What are the key properties of (E)-3-(4-chlorophenyl)-2-methylbut-2-enamide?
(E)-3-(4-chlorophenyl)-2-methylbut-2-enamide has a molecular weight of 209.68 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-2-methylbut-2-enamide is sourced from PubChem (CID 3033653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).