(2E)-2-benzylidene-3-methylbutanamide

C12H15NO — CID 20836396

IUPAC(2E)-2-benzylidene-3-methylbutanamide
SMILESCC(C)/C(=C\c1ccccc1)C(N)=O
InChIInChI=1S/C12H15NO/c1-9(2)11(12(13)14)8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,13,14)/b11-8+
InChIKeyJWGGEKQBMMBUKT-DHZHZOJOSA-N
MW189.26 g/mol
LogP2.21
Rot. Bonds3

About (2E)-2-benzylidene-3-methylbutanamide

(2E)-2-benzylidene-3-methylbutanamide (PubChem CID 20836396) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2E)-2-benzylidene-3-methylbutanamide.

Molecular Properties

Compound Name(2E)-2-benzylidene-3-methylbutanamide
PubChem CID20836396
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2E)-2-benzylidene-3-methylbutanamide
SMILESCC(C)/C(=C\c1ccccc1)C(N)=O
InChIInChI=1S/C12H15NO/c1-9(2)11(12(13)14)8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,13,14)/b11-8+
InChIKeyJWGGEKQBMMBUKT-DHZHZOJOSA-N
XLogP2.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.21
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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Related Compounds

2-amino-3-phenylprop-2-enamide
CID 70617640
[(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene
CID 10827237
(E)-2-chloro-3-phenylprop-2-enamide
CID 909679
2-benzylidene-3,3-dimethylbutanamide
CID 67615260
2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one
CID 66616036
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
2-benzylidene-3-methyl-4-phenylbutanoic acid
CID 175213600
methyl 2-benzylidene-3-bromobutanoate
CID 174607426
2-phenoxy-3-phenylprop-2-enamide
CID 70366581
4-methyl-1,2-diphenylpent-1-en-3-one
CID 54502058
2-benzylidene-3-ethylbutanedioic acid
CID 54436000
(2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide
CID 6069826

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-3-methylbutanamide?
The IUPAC name of (2E)-2-benzylidene-3-methylbutanamide (CID 20836396) is (2E)-2-benzylidene-3-methylbutanamide.
What is the SMILES notation for (2E)-2-benzylidene-3-methylbutanamide?
The canonical SMILES for (2E)-2-benzylidene-3-methylbutanamide is CC(C)/C(=C\c1ccccc1)C(N)=O.
What is the InChIKey of (2E)-2-benzylidene-3-methylbutanamide?
The InChIKey is JWGGEKQBMMBUKT-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)11(12(13)14)8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,13,14)/b11-8+.
What are the key properties of (2E)-2-benzylidene-3-methylbutanamide?
(2E)-2-benzylidene-3-methylbutanamide has a molecular weight of 189.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-3-methylbutanamide is sourced from PubChem (CID 20836396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).