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

C12H21NO2 — CID 66106700

IUPAC2-cyclopent-2-en-1-yl-N-(4-hydroxy-2-methylbutyl)acetamide
SMILESCC(CCO)CNC(=O)CC1C=CCC1
InChIInChI=1S/C12H21NO2/c1-10(6-7-14)9-13-12(15)8-11-4-2-3-5-11/h2,4,10-11,14H,3,5-9H2,1H3,(H,13,15)
InChIKeyOEHBDGDVWLOUAE-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.48
Rot. Bonds6

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

2-cyclopent-2-en-1-yl-N-(4-hydroxy-2-methylbutyl)acetamide (PubChem CID 66106700) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(4-hydroxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(4-hydroxy-2-methylbutyl)acetamide
PubChem CID66106700
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-cyclopent-2-en-1-yl-N-(4-hydroxy-2-methylbutyl)acetamide
SMILESCC(CCO)CNC(=O)CC1C=CCC1
InChIInChI=1S/C12H21NO2/c1-10(6-7-14)9-13-12(15)8-11-4-2-3-5-11/h2,4,10-11,14H,3,5-9H2,1H3,(H,13,15)
InChIKeyOEHBDGDVWLOUAE-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.48
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-(4-hydroxy-2-methylbutyl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(4-hydroxy-2-methylbutyl)acetamide (CID 66106700) is 2-cyclopent-2-en-1-yl-N-(4-hydroxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(4-hydroxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(4-hydroxy-2-methylbutyl)acetamide is CC(CCO)CNC(=O)CC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(4-hydroxy-2-methylbutyl)acetamide?
The InChIKey is OEHBDGDVWLOUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(6-7-14)9-13-12(15)8-11-4-2-3-5-11/h2,4,10-11,14H,3,5-9H2,1H3,(H,13,15).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(4-hydroxy-2-methylbutyl)acetamide?
2-cyclopent-2-en-1-yl-N-(4-hydroxy-2-methylbutyl)acetamide has a molecular weight of 211.30 g/mol, XLogP of 1.48, 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-(4-hydroxy-2-methylbutyl)acetamide is sourced from PubChem (CID 66106700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).