2-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide

C13H23NO2 — CID 71917267

IUPAC2-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide
SMILESCC(C)CC(O)CNC(=O)CC1C=CCC1
InChIInChI=1S/C13H23NO2/c1-10(2)7-12(15)9-14-13(16)8-11-5-3-4-6-11/h3,5,10-12,15H,4,6-9H2,1-2H3,(H,14,16)
InChIKeyLCBJBCFBXDKXGJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.87
Rot. Bonds6

About 2-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide

2-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide (PubChem CID 71917267) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide
PubChem CID71917267
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide
SMILESCC(C)CC(O)CNC(=O)CC1C=CCC1
InChIInChI=1S/C13H23NO2/c1-10(2)7-12(15)9-14-13(16)8-11-5-3-4-6-11/h3,5,10-12,15H,4,6-9H2,1-2H3,(H,14,16)
InChIKeyLCBJBCFBXDKXGJ-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
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-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide (CID 71917267) is 2-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide is CC(C)CC(O)CNC(=O)CC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide?
The InChIKey is LCBJBCFBXDKXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)7-12(15)9-14-13(16)8-11-5-3-4-6-11/h3,5,10-12,15H,4,6-9H2,1-2H3,(H,14,16).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide?
2-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide has a molecular weight of 225.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 71917267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).