1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone

C14H19NO — CID 118740665

IUPAC1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cccc(C)c1C
InChIInChI=1S/C14H19NO/c1-10-6-4-7-13(11(10)2)14-8-5-9-15(14)12(3)16/h4,6-7,14H,5,8-9H2,1-3H3
InChIKeyVONYLSRDYWMGDN-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.99
Rot. Bonds1

About 1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone

1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 118740665) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID118740665
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cccc(C)c1C
InChIInChI=1S/C14H19NO/c1-10-6-4-7-13(11(10)2)14-8-5-9-15(14)12(3)16/h4,6-7,14H,5,8-9H2,1-3H3
InChIKeyVONYLSRDYWMGDN-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone 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-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone (CID 118740665) is 1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1cccc(C)c1C.
What is the InChIKey of 1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is VONYLSRDYWMGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-6-4-7-13(11(10)2)14-8-5-9-15(14)12(3)16/h4,6-7,14H,5,8-9H2,1-3H3.
What are the key properties of 1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone?
1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 217.31 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 118740665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).