1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone

C15H27NO3 — CID 110022886

IUPAC1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone
SMILESCC1CCCC(OCC(=O)N2CCC(C(C)O)C2)C1
InChIInChI=1S/C15H27NO3/c1-11-4-3-5-14(8-11)19-10-15(18)16-7-6-13(9-16)12(2)17/h11-14,17H,3-10H2,1-2H3
InChIKeyWOAHTGZVGLXOAF-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.81
Rot. Bonds4

About 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone

1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone (PubChem CID 110022886) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone
PubChem CID110022886
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone
SMILESCC1CCCC(OCC(=O)N2CCC(C(C)O)C2)C1
InChIInChI=1S/C15H27NO3/c1-11-4-3-5-14(8-11)19-10-15(18)16-7-6-13(9-16)12(2)17/h11-14,17H,3-10H2,1-2H3
InChIKeyWOAHTGZVGLXOAF-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone 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

methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate
CID 96503144
1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone
CID 126791024
5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 112629395
(2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629306
(3-methylcyclohexyl) 2,3-dihydroxypropanoate;propane
CID 143971653
3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 112627138
2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625298
N-ethyl-N-(3-methylbutan-2-yl)-2-(3-methylcyclohexyl)oxyacetamide
CID 86941609
1-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-(3-methylcyclohexyl)oxyethanone
CID 75371128
2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625258
2-(1-adamantyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115966017
2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110023413

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone?
The IUPAC name of 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone (CID 110022886) is 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone?
The canonical SMILES for 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone is CC1CCCC(OCC(=O)N2CCC(C(C)O)C2)C1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone?
The InChIKey is WOAHTGZVGLXOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11-4-3-5-14(8-11)19-10-15(18)16-7-6-13(9-16)12(2)17/h11-14,17H,3-10H2,1-2H3.
What are the key properties of 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone?
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone has a molecular weight of 269.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone is sourced from PubChem (CID 110022886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).