(2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C13H23NO2 — CID 104919981

IUPAC(2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)C2CCCC2(C)C)C1
InChIInChI=1S/C13H23NO2/c1-12(2)6-4-5-10(12)11(15)14-8-7-13(3,16)9-14/h10,16H,4-9H2,1-3H3
InChIKeyNJJQTQKELKEVMU-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.80
Rot. Bonds1

About (2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

(2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 104919981) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID104919981
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)C2CCCC2(C)C)C1
InChIInChI=1S/C13H23NO2/c1-12(2)6-4-5-10(12)11(15)14-8-7-13(3,16)9-14/h10,16H,4-9H2,1-3H3
InChIKeyNJJQTQKELKEVMU-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylcyclopentyl)-(4-hydroxypiperidin-1-yl)methanone
CID 104917952
(4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107183919
1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 107175468
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355935
bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 150880281
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107180972
(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175429
[3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107180661
2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone
CID 107181114
[4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183885
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 103773754

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 104919981) is (2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CC1(O)CCN(C(=O)C2CCCC2(C)C)C1.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is NJJQTQKELKEVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2)6-4-5-10(12)11(15)14-8-7-13(3,16)9-14/h10,16H,4-9H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
(2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 225.33 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 104919981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).