2-(4-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone

C12H21NO2 — CID 142976695

IUPAC2-(4-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCC(O)CC1)N1CCCC1
InChIInChI=1S/C12H21NO2/c14-11-5-3-10(4-6-11)9-12(15)13-7-1-2-8-13/h10-11,14H,1-9H2
InChIKeyUETLJGLXSWIDNN-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.55
Rot. Bonds2

About 2-(4-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone

2-(4-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone (PubChem CID 142976695) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone
PubChem CID142976695
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(4-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCC(O)CC1)N1CCCC1
InChIInChI=1S/C12H21NO2/c14-11-5-3-10(4-6-11)9-12(15)13-7-1-2-8-13/h10-11,14H,1-9H2
InChIKeyUETLJGLXSWIDNN-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-Hydroxy-2-methyl-2-azaspiro(4.5)decan-3-one
CID 121206940
2-(1-Hydroxycyclohexyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 112421632
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-hydroxycyclohexyl)ethanone
CID 174506614
(4,4-Difluorocyclohexyl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 81932627
(3,3-Difluoropyrrolidin-1-yl)((1r,4r)-4-hydroxycyclohexyl)methanone
CID 116991750
[2-(Hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 14127583
(1S,trans) 1-[(2hydroxymethyl-1-cyclohexyl)-carbonyl]-pyrrolidine
CID 14127584
2-Cyclohexyl-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 17828568
3-Cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 17917960
N-cyclopropyl-2-(4-hydroxycyclohexyl)-N-propylacetamide
CID 58375878
Cyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 59917884
2-Cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917593

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone (CID 142976695) is 2-(4-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone is O=C(CC1CCC(O)CC1)N1CCCC1.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is UETLJGLXSWIDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-11-5-3-10(4-6-11)9-12(15)13-7-1-2-8-13/h10-11,14H,1-9H2.
What are the key properties of 2-(4-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone?
2-(4-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 211.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 142976695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).