(2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone

C18H31NO2 — CID 107180505

IUPAC(2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone
SMILESCC1(C)CCCC1C(=O)N1CCCC1C1CCCCC1O
InChIInChI=1S/C18H31NO2/c1-18(2)11-5-8-14(18)17(21)19-12-6-9-15(19)13-7-3-4-10-16(13)20/h13-16,20H,3-12H2,1-2H3
InChIKeyAAWKREVNOSHQRK-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.35
Rot. Bonds2

About (2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone

(2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone (PubChem CID 107180505) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone
PubChem CID107180505
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone
SMILESCC1(C)CCCC1C(=O)N1CCCC1C1CCCCC1O
InChIInChI=1S/C18H31NO2/c1-18(2)11-5-8-14(18)17(21)19-12-6-9-15(19)13-7-3-4-10-16(13)20/h13-16,20H,3-12H2,1-2H3
InChIKeyAAWKREVNOSHQRK-UHFFFAOYSA-N
XLogP3.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175429
cyclohexyl-[2-(2-hydroxycyclopentyl)piperidin-1-yl]methanone
CID 79545603
(1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 129491958
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107180503
2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 129449015
[2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183977
1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one
CID 107178848
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107180595
methyl 2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxylate
CID 79544161
(3,5-dimethoxy-4-methylphenyl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 129481027
1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide
CID 107182819
(2,2-dimethylcyclopentyl)-(4-hydroxypiperidin-1-yl)methanone
CID 104917952

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone (CID 107180505) is (2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone is CC1(C)CCCC1C(=O)N1CCCC1C1CCCCC1O.
What is the InChIKey of (2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone?
The InChIKey is AAWKREVNOSHQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-18(2)11-5-8-14(18)17(21)19-12-6-9-15(19)13-7-3-4-10-16(13)20/h13-16,20H,3-12H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone?
(2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone has a molecular weight of 293.45 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 107180505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).