1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one

C17H30N2O3 — CID 102554559

IUPAC1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CC(O)CC1C1CCCCC1
InChIInChI=1S/C17H30N2O3/c20-14-9-16(13-5-2-1-3-6-13)19(10-14)12-15(21)11-18-8-4-7-17(18)22/h13-16,20-21H,1-12H2
InChIKeyUDGQOHDUCLNXRM-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.99
Rot. Bonds5

About 1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one

1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 102554559) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID102554559
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CC(O)CC1C1CCCCC1
InChIInChI=1S/C17H30N2O3/c20-14-9-16(13-5-2-1-3-6-13)19(10-14)12-15(21)11-18-8-4-7-17(18)22/h13-16,20-21H,1-12H2
InChIKeyUDGQOHDUCLNXRM-UHFFFAOYSA-N
XLogP0.99
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one 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

1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 111116570
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1R)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846837
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846838
1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 111442533
1-[3-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
CID 111753969
1-[3-(3-ethylsulfanylazepan-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111117968
1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 102287325
1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one
CID 104753129
1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
CID 70616832
1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol
CID 131059675
1-(3-chloro-2-hydroxypropyl)piperidin-2-one
CID 112560133
1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116491

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one (CID 102554559) is 1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one is O=C1CCCN1CC(O)CN1CC(O)CC1C1CCCCC1.
What is the InChIKey of 1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is UDGQOHDUCLNXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c20-14-9-16(13-5-2-1-3-6-13)19(10-14)12-15(21)11-18-8-4-7-17(18)22/h13-16,20-21H,1-12H2.
What are the key properties of 1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 310.44 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 102554559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).