2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide

C15H23NO2 — CID 44562697

IUPAC2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide
SMILESCC/C=C\CC1C(=O)C=CC1CC(=O)NC(C)C
InChIInChI=1S/C15H23NO2/c1-4-5-6-7-13-12(8-9-14(13)17)10-15(18)16-11(2)3/h5-6,8-9,11-13H,4,7,10H2,1-3H3,(H,16,18)/b6-5-
InChIKeyVNYSVPHXOKQONC-WAYWQWQTSA-N
MW249.35 g/mol
LogP2.63
Rot. Bonds6

About 2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide

2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide (PubChem CID 44562697) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide
PubChem CID44562697
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide
SMILESCC/C=C\CC1C(=O)C=CC1CC(=O)NC(C)C
InChIInChI=1S/C15H23NO2/c1-4-5-6-7-13-12(8-9-14(13)17)10-15(18)16-11(2)3/h5-6,8-9,11-13H,4,7,10H2,1-3H3,(H,16,18)/b6-5-
InChIKeyVNYSVPHXOKQONC-WAYWQWQTSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide (CID 44562697) is 2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide is CC/C=C\CC1C(=O)C=CC1CC(=O)NC(C)C.
What is the InChIKey of 2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide?
The InChIKey is VNYSVPHXOKQONC-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-5-6-7-13-12(8-9-14(13)17)10-15(18)16-11(2)3/h5-6,8-9,11-13H,4,7,10H2,1-3H3,(H,16,18)/b6-5-.
What are the key properties of 2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide?
2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide has a molecular weight of 249.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 44562697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).