2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide

C11H19NO — CID 103707508

IUPAC2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide
SMILESC/C=C/CCNC(=O)CC1CCC1
InChIInChI=1S/C11H19NO/c1-2-3-4-8-12-11(13)9-10-6-5-7-10/h2-3,10H,4-9H2,1H3,(H,12,13)/b3-2+
InChIKeyVEQVZKBQQXQRDE-NSCUHMNNSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds5

About 2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide

2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide (PubChem CID 103707508) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide
PubChem CID103707508
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide
SMILESC/C=C/CCNC(=O)CC1CCC1
InChIInChI=1S/C11H19NO/c1-2-3-4-8-12-11(13)9-10-6-5-7-10/h2-3,10H,4-9H2,1H3,(H,12,13)/b3-2+
InChIKeyVEQVZKBQQXQRDE-NSCUHMNNSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
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 2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide?
The IUPAC name of 2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide (CID 103707508) is 2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide.
What is the SMILES notation for 2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide?
The canonical SMILES for 2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide is C/C=C/CCNC(=O)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide?
The InChIKey is VEQVZKBQQXQRDE-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-4-8-12-11(13)9-10-6-5-7-10/h2-3,10H,4-9H2,1H3,(H,12,13)/b3-2+.
What are the key properties of 2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide?
2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide has a molecular weight of 181.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide is sourced from PubChem (CID 103707508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).