N-ethyl-N-pent-4-enylacetamide

C9H17NO — CID 121451476

IUPACN-ethyl-N-pent-4-enylacetamide
SMILESC=CCCCN(CC)C(C)=O
InChIInChI=1S/C9H17NO/c1-4-6-7-8-10(5-2)9(3)11/h4H,1,5-8H2,2-3H3
InChIKeyBQCLJKWIHKSJBK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.82
Rot. Bonds5

About N-ethyl-N-pent-4-enylacetamide

N-ethyl-N-pent-4-enylacetamide (PubChem CID 121451476) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-ethyl-N-pent-4-enylacetamide.

Molecular Properties

Compound NameN-ethyl-N-pent-4-enylacetamide
PubChem CID121451476
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-ethyl-N-pent-4-enylacetamide
SMILESC=CCCCN(CC)C(C)=O
InChIInChI=1S/C9H17NO/c1-4-6-7-8-10(5-2)9(3)11/h4H,1,5-8H2,2-3H3
InChIKeyBQCLJKWIHKSJBK-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-pent-4-enylacetamide?
The IUPAC name of N-ethyl-N-pent-4-enylacetamide (CID 121451476) is N-ethyl-N-pent-4-enylacetamide.
What is the SMILES notation for N-ethyl-N-pent-4-enylacetamide?
The canonical SMILES for N-ethyl-N-pent-4-enylacetamide is C=CCCCN(CC)C(C)=O.
What is the InChIKey of N-ethyl-N-pent-4-enylacetamide?
The InChIKey is BQCLJKWIHKSJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-7-8-10(5-2)9(3)11/h4H,1,5-8H2,2-3H3.
What are the key properties of N-ethyl-N-pent-4-enylacetamide?
N-ethyl-N-pent-4-enylacetamide has a molecular weight of 155.24 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-pent-4-enylacetamide is sourced from PubChem (CID 121451476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).