2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide

C15H25NO2 — CID 44562699

IUPAC2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide
SMILESCCCCCC1C(=O)C=CC1CC(=O)NC(C)C
InChIInChI=1S/C15H25NO2/c1-4-5-6-7-13-12(8-9-14(13)17)10-15(18)16-11(2)3/h8-9,11-13H,4-7,10H2,1-3H3,(H,16,18)
InChIKeyVTFNZHJHVXSLPU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.85
Rot. Bonds7

About 2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide

2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide (PubChem CID 44562699) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide
PubChem CID44562699
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide
SMILESCCCCCC1C(=O)C=CC1CC(=O)NC(C)C
InChIInChI=1S/C15H25NO2/c1-4-5-6-7-13-12(8-9-14(13)17)10-15(18)16-11(2)3/h8-9,11-13H,4-7,10H2,1-3H3,(H,16,18)
InChIKeyVTFNZHJHVXSLPU-UHFFFAOYSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide (CID 44562699) is 2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide is CCCCCC1C(=O)C=CC1CC(=O)NC(C)C.
What is the InChIKey of 2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide?
The InChIKey is VTFNZHJHVXSLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-5-6-7-13-12(8-9-14(13)17)10-15(18)16-11(2)3/h8-9,11-13H,4-7,10H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide?
2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide has a molecular weight of 251.37 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 44562699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).