N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-enamide

C12H19NO — CID 14526643

IUPACN-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-enamide
SMILESC=C/C=C/N(C(=O)CCC=C)C(C)C
InChIInChI=1S/C12H19NO/c1-5-7-9-12(14)13(11(3)4)10-8-6-2/h5-6,8,10-11H,1-2,7,9H2,3-4H3/b10-8+
InChIKeyPHZAPCXWRSRMJE-CSKARUKUSA-N
MW193.29 g/mol
LogP2.89
Rot. Bonds6

About N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-enamide

N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-enamide (PubChem CID 14526643) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-enamide.

Molecular Properties

Compound NameN-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-enamide
PubChem CID14526643
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-enamide
SMILESC=C/C=C/N(C(=O)CCC=C)C(C)C
InChIInChI=1S/C12H19NO/c1-5-7-9-12(14)13(11(3)4)10-8-6-2/h5-6,8,10-11H,1-2,7,9H2,3-4H3/b10-8+
InChIKeyPHZAPCXWRSRMJE-CSKARUKUSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-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 N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-enamide?
The IUPAC name of N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-enamide (CID 14526643) is N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-enamide.
What is the SMILES notation for N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-enamide?
The canonical SMILES for N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-enamide is C=C/C=C/N(C(=O)CCC=C)C(C)C.
What is the InChIKey of N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-enamide?
The InChIKey is PHZAPCXWRSRMJE-CSKARUKUSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-7-9-12(14)13(11(3)4)10-8-6-2/h5-6,8,10-11H,1-2,7,9H2,3-4H3/b10-8+.
What are the key properties of N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-enamide?
N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-enamide has a molecular weight of 193.29 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpent-4-enamide is sourced from PubChem (CID 14526643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).