3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one

C10H15NO2 — CID 104787749

IUPAC3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCCC2CO)CC1
InChIInChI=1S/C10H15NO2/c12-7-9-2-1-5-11(9)8-3-4-10(13)6-8/h6,9,12H,1-5,7H2
InChIKeyRRRNBZGBCJWRLV-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.69
Rot. Bonds2

About 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one

3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one (PubChem CID 104787749) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one
PubChem CID104787749
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCCC2CO)CC1
InChIInChI=1S/C10H15NO2/c12-7-9-2-1-5-11(9)8-3-4-10(13)6-8/h6,9,12H,1-5,7H2
InChIKeyRRRNBZGBCJWRLV-UHFFFAOYSA-N
XLogP0.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one 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 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one?
The IUPAC name of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one (CID 104787749) is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one is O=C1C=C(N2CCCC2CO)CC1.
What is the InChIKey of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one?
The InChIKey is RRRNBZGBCJWRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-7-9-2-1-5-11(9)8-3-4-10(13)6-8/h6,9,12H,1-5,7H2.
What are the key properties of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one?
3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one has a molecular weight of 181.23 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 104787749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).