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

C11H17NO2 — CID 591755

IUPAC3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one
SMILESCOCC1CCCN1C1=CC(=O)CC1
InChIInChI=1S/C11H17NO2/c1-14-8-10-3-2-6-12(10)9-4-5-11(13)7-9/h7,10H,2-6,8H2,1H3
InChIKeyLLCVHNCJIXNQBM-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.34
Rot. Bonds3

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

3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one (PubChem CID 591755) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one
PubChem CID591755
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one
SMILESCOCC1CCCN1C1=CC(=O)CC1
InChIInChI=1S/C11H17NO2/c1-14-8-10-3-2-6-12(10)9-4-5-11(13)7-9/h7,10H,2-6,8H2,1H3
InChIKeyLLCVHNCJIXNQBM-UHFFFAOYSA-N
XLogP1.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-(methoxymethyl)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-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one?
The IUPAC name of 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one (CID 591755) is 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one is COCC1CCCN1C1=CC(=O)CC1.
What is the InChIKey of 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one?
The InChIKey is LLCVHNCJIXNQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-14-8-10-3-2-6-12(10)9-4-5-11(13)7-9/h7,10H,2-6,8H2,1H3.
What are the key properties of 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one?
3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one has a molecular weight of 195.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 591755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).