(E)-4-methylidene-N-propyloct-6-enamide

C12H21NO — CID 10035556

IUPAC(E)-4-methylidene-N-propyloct-6-enamide
SMILESC=C(C/C=C/C)CCC(=O)NCCC
InChIInChI=1S/C12H21NO/c1-4-6-7-11(3)8-9-12(14)13-10-5-2/h4,6H,3,5,7-10H2,1-2H3,(H,13,14)/b6-4+
InChIKeyHJOBFJDNIXZRDP-GQCTYLIASA-N
MW195.31 g/mol
LogP2.82
Rot. Bonds7

About (E)-4-methylidene-N-propyloct-6-enamide

(E)-4-methylidene-N-propyloct-6-enamide (PubChem CID 10035556) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (E)-4-methylidene-N-propyloct-6-enamide.

Molecular Properties

Compound Name(E)-4-methylidene-N-propyloct-6-enamide
PubChem CID10035556
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(E)-4-methylidene-N-propyloct-6-enamide
SMILESC=C(C/C=C/C)CCC(=O)NCCC
InChIInChI=1S/C12H21NO/c1-4-6-7-11(3)8-9-12(14)13-10-5-2/h4,6H,3,5,7-10H2,1-2H3,(H,13,14)/b6-4+
InChIKeyHJOBFJDNIXZRDP-GQCTYLIASA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4-methylidene-N-propyloct-6-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 (E)-4-methylidene-N-propyloct-6-enamide?
The IUPAC name of (E)-4-methylidene-N-propyloct-6-enamide (CID 10035556) is (E)-4-methylidene-N-propyloct-6-enamide.
What is the SMILES notation for (E)-4-methylidene-N-propyloct-6-enamide?
The canonical SMILES for (E)-4-methylidene-N-propyloct-6-enamide is C=C(C/C=C/C)CCC(=O)NCCC.
What is the InChIKey of (E)-4-methylidene-N-propyloct-6-enamide?
The InChIKey is HJOBFJDNIXZRDP-GQCTYLIASA-N. The full InChI is InChI=1S/C12H21NO/c1-4-6-7-11(3)8-9-12(14)13-10-5-2/h4,6H,3,5,7-10H2,1-2H3,(H,13,14)/b6-4+.
What are the key properties of (E)-4-methylidene-N-propyloct-6-enamide?
(E)-4-methylidene-N-propyloct-6-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylidene-N-propyloct-6-enamide is sourced from PubChem (CID 10035556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).