1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione

C12H19NO2 — CID 19068220

IUPAC1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCC1)C1CCCCC1
InChIInChI=1S/C12H19NO2/c14-11(10-6-2-1-3-7-10)12(15)13-8-4-5-9-13/h10H,1-9H2
InChIKeyVGKJDBRTNWMHOJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.76
Rot. Bonds2

About 1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione

1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione (PubChem CID 19068220) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione
PubChem CID19068220
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCC1)C1CCCCC1
InChIInChI=1S/C12H19NO2/c14-11(10-6-2-1-3-7-10)12(15)13-8-4-5-9-13/h10H,1-9H2
InChIKeyVGKJDBRTNWMHOJ-UHFFFAOYSA-N
XLogP1.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione 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 1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione?
The IUPAC name of 1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione (CID 19068220) is 1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione?
The InChIKey is VGKJDBRTNWMHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-11(10-6-2-1-3-7-10)12(15)13-8-4-5-9-13/h10H,1-9H2.
What are the key properties of 1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione?
1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione has a molecular weight of 209.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-pyrrolidin-1-ylethane-1,2-dione is sourced from PubChem (CID 19068220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).