[(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone

C16H29NO — CID 14223666

IUPAC[(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone
SMILESCCC[C@@H]1CCCN1C(=O)[C@@]1(C)CCCC[C@@H]1C
InChIInChI=1S/C16H29NO/c1-4-8-14-10-7-12-17(14)15(18)16(3)11-6-5-9-13(16)2/h13-14H,4-12H2,1-3H3/t13-,14+,16-/m0/s1
InChIKeyOGAIDFKIQYCVNJ-LZWOXQAQSA-N
MW251.41 g/mol
LogP3.99
Rot. Bonds3

About [(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone

[(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone (PubChem CID 14223666) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is [(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone
PubChem CID14223666
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name[(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone
SMILESCCC[C@@H]1CCCN1C(=O)[C@@]1(C)CCCC[C@@H]1C
InChIInChI=1S/C16H29NO/c1-4-8-14-10-7-12-17(14)15(18)16(3)11-6-5-9-13(16)2/h13-14H,4-12H2,1-3H3/t13-,14+,16-/m0/s1
InChIKeyOGAIDFKIQYCVNJ-LZWOXQAQSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone 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 [(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone?
The IUPAC name of [(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone (CID 14223666) is [(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone?
The canonical SMILES for [(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone is CCC[C@@H]1CCCN1C(=O)[C@@]1(C)CCCC[C@@H]1C.
What is the InChIKey of [(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone?
The InChIKey is OGAIDFKIQYCVNJ-LZWOXQAQSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-8-14-10-7-12-17(14)15(18)16(3)11-6-5-9-13(16)2/h13-14H,4-12H2,1-3H3/t13-,14+,16-/m0/s1.
What are the key properties of [(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone?
[(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone has a molecular weight of 251.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 14223666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).