N-[(E)-3,4-dimethylpent-2-enylidene]acetamide

C9H15NO — CID 122696493

IUPACN-[(E)-3,4-dimethylpent-2-enylidene]acetamide
SMILESCC(=O)/N=C/C=C(\C)C(C)C
InChIInChI=1S/C9H15NO/c1-7(2)8(3)5-6-10-9(4)11/h5-7H,1-4H3/b8-5+,10-6+
InChIKeyGZOFPZWQXHWRBM-YLDLMLGBSA-N
MW153.22 g/mol
LogP2.21
Rot. Bonds2

About N-[(E)-3,4-dimethylpent-2-enylidene]acetamide

N-[(E)-3,4-dimethylpent-2-enylidene]acetamide (PubChem CID 122696493) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[(E)-3,4-dimethylpent-2-enylidene]acetamide.

Molecular Properties

Compound NameN-[(E)-3,4-dimethylpent-2-enylidene]acetamide
PubChem CID122696493
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[(E)-3,4-dimethylpent-2-enylidene]acetamide
SMILESCC(=O)/N=C/C=C(\C)C(C)C
InChIInChI=1S/C9H15NO/c1-7(2)8(3)5-6-10-9(4)11/h5-7H,1-4H3/b8-5+,10-6+
InChIKeyGZOFPZWQXHWRBM-YLDLMLGBSA-N
XLogP2.21
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(E)-3,4-dimethylpent-2-enylidene]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,4-dimethylpent-2-enylidene]acetamide?
The IUPAC name of N-[(E)-3,4-dimethylpent-2-enylidene]acetamide (CID 122696493) is N-[(E)-3,4-dimethylpent-2-enylidene]acetamide.
What is the SMILES notation for N-[(E)-3,4-dimethylpent-2-enylidene]acetamide?
The canonical SMILES for N-[(E)-3,4-dimethylpent-2-enylidene]acetamide is CC(=O)/N=C/C=C(\C)C(C)C.
What is the InChIKey of N-[(E)-3,4-dimethylpent-2-enylidene]acetamide?
The InChIKey is GZOFPZWQXHWRBM-YLDLMLGBSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)8(3)5-6-10-9(4)11/h5-7H,1-4H3/b8-5+,10-6+.
What are the key properties of N-[(E)-3,4-dimethylpent-2-enylidene]acetamide?
N-[(E)-3,4-dimethylpent-2-enylidene]acetamide has a molecular weight of 153.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,4-dimethylpent-2-enylidene]acetamide is sourced from PubChem (CID 122696493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).