2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid

C12H19NO2 — CID 68706714

IUPAC2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid
SMILESO=C(O)CC1CCCC=C1N1CCCC1
InChIInChI=1S/C12H19NO2/c14-12(15)9-10-5-1-2-6-11(10)13-7-3-4-8-13/h6,10H,1-5,7-9H2,(H,14,15)
InChIKeyRACDBORVXSDZFE-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.24
Rot. Bonds3

About 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid

2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid (PubChem CID 68706714) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid
PubChem CID68706714
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid
SMILESO=C(O)CC1CCCC=C1N1CCCC1
InChIInChI=1S/C12H19NO2/c14-12(15)9-10-5-1-2-6-11(10)13-7-3-4-8-13/h6,10H,1-5,7-9H2,(H,14,15)
InChIKeyRACDBORVXSDZFE-UHFFFAOYSA-N
XLogP2.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid 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-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid?
The IUPAC name of 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid (CID 68706714) is 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid?
The canonical SMILES for 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid is O=C(O)CC1CCCC=C1N1CCCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid?
The InChIKey is RACDBORVXSDZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-12(15)9-10-5-1-2-6-11(10)13-7-3-4-8-13/h6,10H,1-5,7-9H2,(H,14,15).
What are the key properties of 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid?
2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid has a molecular weight of 209.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetic acid is sourced from PubChem (CID 68706714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).