N-methyl-N-[(1E)-penta-1,4-dienyl]butanamide

C10H17NO — CID 166629598

IUPACN-methyl-N-[(1E)-penta-1,4-dienyl]butanamide
SMILESC=CC/C=C/N(C)C(=O)CCC
InChIInChI=1S/C10H17NO/c1-4-6-7-9-11(3)10(12)8-5-2/h4,7,9H,1,5-6,8H2,2-3H3/b9-7+
InChIKeyFIAYHFQASMTKCA-VQHVLOKHSA-N
MW167.25 g/mol
LogP2.33
Rot. Bonds5

About N-methyl-N-[(1E)-penta-1,4-dienyl]butanamide

N-methyl-N-[(1E)-penta-1,4-dienyl]butanamide (PubChem CID 166629598) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-methyl-N-[(1E)-penta-1,4-dienyl]butanamide.

Molecular Properties

Compound NameN-methyl-N-[(1E)-penta-1,4-dienyl]butanamide
PubChem CID166629598
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-methyl-N-[(1E)-penta-1,4-dienyl]butanamide
SMILESC=CC/C=C/N(C)C(=O)CCC
InChIInChI=1S/C10H17NO/c1-4-6-7-9-11(3)10(12)8-5-2/h4,7,9H,1,5-6,8H2,2-3H3/b9-7+
InChIKeyFIAYHFQASMTKCA-VQHVLOKHSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1E)-penta-1,4-dienyl]butanamide?
The IUPAC name of N-methyl-N-[(1E)-penta-1,4-dienyl]butanamide (CID 166629598) is N-methyl-N-[(1E)-penta-1,4-dienyl]butanamide.
What is the SMILES notation for N-methyl-N-[(1E)-penta-1,4-dienyl]butanamide?
The canonical SMILES for N-methyl-N-[(1E)-penta-1,4-dienyl]butanamide is C=CC/C=C/N(C)C(=O)CCC.
What is the InChIKey of N-methyl-N-[(1E)-penta-1,4-dienyl]butanamide?
The InChIKey is FIAYHFQASMTKCA-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-7-9-11(3)10(12)8-5-2/h4,7,9H,1,5-6,8H2,2-3H3/b9-7+.
What are the key properties of N-methyl-N-[(1E)-penta-1,4-dienyl]butanamide?
N-methyl-N-[(1E)-penta-1,4-dienyl]butanamide has a molecular weight of 167.25 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1E)-penta-1,4-dienyl]butanamide is sourced from PubChem (CID 166629598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).