(1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone

C17H26N2O2 — CID 129447632

IUPAC(1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
SMILESCc1ccn(C)c1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C17H26N2O2/c1-12-9-11-18(2)16(12)17(21)19-10-5-7-14(19)13-6-3-4-8-15(13)20/h9,11,13-15,20H,3-8,10H2,1-2H3/t13-,14+,15-/m0/s1
InChIKeyUIJUYHPFAQOQFH-ZNMIVQPWSA-N
MW290.41 g/mol
LogP2.49
Rot. Bonds2

About (1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone

(1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone (PubChem CID 129447632) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
PubChem CID129447632
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
SMILESCc1ccn(C)c1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C17H26N2O2/c1-12-9-11-18(2)16(12)17(21)19-10-5-7-14(19)13-6-3-4-8-15(13)20/h9,11,13-15,20H,3-8,10H2,1-2H3/t13-,14+,15-/m0/s1
InChIKeyUIJUYHPFAQOQFH-ZNMIVQPWSA-N
XLogP2.49
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-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

Related Compounds

[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 129372840
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103120402
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 79543848
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 79546610
(2,6-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
CID 79539009
[2-(2-hydroxycyclopentyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 79545074
1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
CID 79539006
[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 129491193
(3-ethyl-1-methylpyrazol-4-yl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
CID 102810898
methyl 2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxylate
CID 79544161
[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 100699782
(3,5-dimethoxy-4-methylphenyl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 129481027

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone (CID 129447632) is (1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone is Cc1ccn(C)c1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of (1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone?
The InChIKey is UIJUYHPFAQOQFH-ZNMIVQPWSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-9-11-18(2)16(12)17(21)19-10-5-7-14(19)13-6-3-4-8-15(13)20/h9,11,13-15,20H,3-8,10H2,1-2H3/t13-,14+,15-/m0/s1.
What are the key properties of (1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone?
(1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129447632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).