2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide

C9H15NO2 — CID 67855878

IUPAC2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1C=CCC1O
InChIInChI=1S/C9H15NO2/c1-10(2)9(12)6-7-4-3-5-8(7)11/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyKCABZZVEKBHZLB-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.40
Rot. Bonds2

About 2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide

2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide (PubChem CID 67855878) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide
PubChem CID67855878
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1C=CCC1O
InChIInChI=1S/C9H15NO2/c1-10(2)9(12)6-7-4-3-5-8(7)11/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyKCABZZVEKBHZLB-UHFFFAOYSA-N
XLogP0.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide (CID 67855878) is 2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)CC1C=CCC1O.
What is the InChIKey of 2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide?
The InChIKey is KCABZZVEKBHZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10(2)9(12)6-7-4-3-5-8(7)11/h3-4,7-8,11H,5-6H2,1-2H3.
What are the key properties of 2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide?
2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide has a molecular weight of 169.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 67855878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).