2-methylhept-5-enamide

C8H15NO — CID 54187256

IUPAC2-methylhept-5-enamide
SMILESCC=CCCC(C)C(N)=O
InChIInChI=1S/C8H15NO/c1-3-4-5-6-7(2)8(9)10/h3-4,7H,5-6H2,1-2H3,(H2,9,10)
InChIKeyPFXXTYUSZRFQHC-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.46
Rot. Bonds4

About 2-methylhept-5-enamide

2-methylhept-5-enamide (PubChem CID 54187256) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methylhept-5-enamide.

Molecular Properties

Compound Name2-methylhept-5-enamide
PubChem CID54187256
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methylhept-5-enamide
SMILESCC=CCCC(C)C(N)=O
InChIInChI=1S/C8H15NO/c1-3-4-5-6-7(2)8(9)10/h3-4,7H,5-6H2,1-2H3,(H2,9,10)
InChIKeyPFXXTYUSZRFQHC-UHFFFAOYSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylhept-5-enamide 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 2-methylhept-5-enamide?
The IUPAC name of 2-methylhept-5-enamide (CID 54187256) is 2-methylhept-5-enamide.
What is the SMILES notation for 2-methylhept-5-enamide?
The canonical SMILES for 2-methylhept-5-enamide is CC=CCCC(C)C(N)=O.
What is the InChIKey of 2-methylhept-5-enamide?
The InChIKey is PFXXTYUSZRFQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-5-6-7(2)8(9)10/h3-4,7H,5-6H2,1-2H3,(H2,9,10).
What are the key properties of 2-methylhept-5-enamide?
2-methylhept-5-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhept-5-enamide is sourced from PubChem (CID 54187256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).