N-benzyl-N-prop-2-enylpent-4-enamide

C15H19NO — CID 11042531

IUPACN-benzyl-N-prop-2-enylpent-4-enamide
SMILESC=CCCC(=O)N(CC=C)Cc1ccccc1
InChIInChI=1S/C15H19NO/c1-3-5-11-15(17)16(12-4-2)13-14-9-7-6-8-10-14/h3-4,6-10H,1-2,5,11-13H2
InChIKeyZYUPUQDLKDGWKQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.17
Rot. Bonds7

About N-benzyl-N-prop-2-enylpent-4-enamide

N-benzyl-N-prop-2-enylpent-4-enamide (PubChem CID 11042531) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-benzyl-N-prop-2-enylpent-4-enamide.

Molecular Properties

Compound NameN-benzyl-N-prop-2-enylpent-4-enamide
PubChem CID11042531
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-benzyl-N-prop-2-enylpent-4-enamide
SMILESC=CCCC(=O)N(CC=C)Cc1ccccc1
InChIInChI=1S/C15H19NO/c1-3-5-11-15(17)16(12-4-2)13-14-9-7-6-8-10-14/h3-4,6-10H,1-2,5,11-13H2
InChIKeyZYUPUQDLKDGWKQ-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.17
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-benzyl-N-prop-2-enylpent-4-enamide?
The IUPAC name of N-benzyl-N-prop-2-enylpent-4-enamide (CID 11042531) is N-benzyl-N-prop-2-enylpent-4-enamide.
What is the SMILES notation for N-benzyl-N-prop-2-enylpent-4-enamide?
The canonical SMILES for N-benzyl-N-prop-2-enylpent-4-enamide is C=CCCC(=O)N(CC=C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-prop-2-enylpent-4-enamide?
The InChIKey is ZYUPUQDLKDGWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-5-11-15(17)16(12-4-2)13-14-9-7-6-8-10-14/h3-4,6-10H,1-2,5,11-13H2.
What are the key properties of N-benzyl-N-prop-2-enylpent-4-enamide?
N-benzyl-N-prop-2-enylpent-4-enamide has a molecular weight of 229.32 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-prop-2-enylpent-4-enamide is sourced from PubChem (CID 11042531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).