N-pent-1-en-3-ylpropanamide

C8H15NO — CID 54350357

IUPACN-pent-1-en-3-ylpropanamide
SMILESC=CC(CC)NC(=O)CC
InChIInChI=1S/C8H15NO/c1-4-7(5-2)9-8(10)6-3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyUFHBPKYEBQFEKS-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds4

About N-pent-1-en-3-ylpropanamide

N-pent-1-en-3-ylpropanamide (PubChem CID 54350357) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-pent-1-en-3-ylpropanamide.

Molecular Properties

Compound NameN-pent-1-en-3-ylpropanamide
PubChem CID54350357
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-pent-1-en-3-ylpropanamide
SMILESC=CC(CC)NC(=O)CC
InChIInChI=1S/C8H15NO/c1-4-7(5-2)9-8(10)6-3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyUFHBPKYEBQFEKS-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 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 ≤ 51.48
H-Bond Donors ≤ 51
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-pent-1-en-3-ylpropanamide?
The IUPAC name of N-pent-1-en-3-ylpropanamide (CID 54350357) is N-pent-1-en-3-ylpropanamide.
What is the SMILES notation for N-pent-1-en-3-ylpropanamide?
The canonical SMILES for N-pent-1-en-3-ylpropanamide is C=CC(CC)NC(=O)CC.
What is the InChIKey of N-pent-1-en-3-ylpropanamide?
The InChIKey is UFHBPKYEBQFEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-7(5-2)9-8(10)6-3/h4,7H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of N-pent-1-en-3-ylpropanamide?
N-pent-1-en-3-ylpropanamide has a molecular weight of 141.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-en-3-ylpropanamide is sourced from PubChem (CID 54350357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).