N-oct-1-en-3-ylacetamide

C10H19NO — CID 87897341

IUPACN-oct-1-en-3-ylacetamide
SMILESC=CC(CCCCC)NC(C)=O
InChIInChI=1S/C10H19NO/c1-4-6-7-8-10(5-2)11-9(3)12/h5,10H,2,4,6-8H2,1,3H3,(H,11,12)
InChIKeyNEZIMTIKJPHBTO-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.26
Rot. Bonds6

About N-oct-1-en-3-ylacetamide

N-oct-1-en-3-ylacetamide (PubChem CID 87897341) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-oct-1-en-3-ylacetamide.

Molecular Properties

Compound NameN-oct-1-en-3-ylacetamide
PubChem CID87897341
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-oct-1-en-3-ylacetamide
SMILESC=CC(CCCCC)NC(C)=O
InChIInChI=1S/C10H19NO/c1-4-6-7-8-10(5-2)11-9(3)12/h5,10H,2,4,6-8H2,1,3H3,(H,11,12)
InChIKeyNEZIMTIKJPHBTO-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
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-oct-1-en-3-ylacetamide?
The IUPAC name of N-oct-1-en-3-ylacetamide (CID 87897341) is N-oct-1-en-3-ylacetamide.
What is the SMILES notation for N-oct-1-en-3-ylacetamide?
The canonical SMILES for N-oct-1-en-3-ylacetamide is C=CC(CCCCC)NC(C)=O.
What is the InChIKey of N-oct-1-en-3-ylacetamide?
The InChIKey is NEZIMTIKJPHBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-7-8-10(5-2)11-9(3)12/h5,10H,2,4,6-8H2,1,3H3,(H,11,12).
What are the key properties of N-oct-1-en-3-ylacetamide?
N-oct-1-en-3-ylacetamide has a molecular weight of 169.27 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-oct-1-en-3-ylacetamide is sourced from PubChem (CID 87897341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).