(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone

C13H21NO2 — CID 103282581

IUPAC(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C13H21NO2/c1-9-3-2-4-11(9)12(15)14-7-13(16,8-14)10-5-6-10/h9-11,16H,2-8H2,1H3
InChIKeyYOTYRPFNFUBNPQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.41
Rot. Bonds2

About (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone

(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone (PubChem CID 103282581) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone
PubChem CID103282581
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C13H21NO2/c1-9-3-2-4-11(9)12(15)14-7-13(16,8-14)10-5-6-10/h9-11,16H,2-8H2,1H3
InChIKeyYOTYRPFNFUBNPQ-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R*,4R*)-1-(cyclopentylacetyl)-3-cyclopropyl-4-methyl-3-pyrrolidinol
CID 72866835
(3-Cyclopropyl-3-hydroxyazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone
CID 81932884
(3-Cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclopentyl)methanone
CID 114094512
(3,3-Difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 114226428
(3-Cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone
CID 114226430
1-(3-Cyclopropyl-3-hydroxyazetidin-1-yl)butan-1-one
CID 65937444
2-Cyclopentyl-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone
CID 65918422
Cyclopentyl-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 65919434
3-Cyclopentyl-1-(3-hydroxy-3-methylazetidin-1-yl)propan-1-one
CID 65920491
(3-Hydroxy-3-propylazetidin-1-yl)-(2-methylcyclopropyl)methanone
CID 65927865
2-Ethyl-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one
CID 65927910
2-Cyclohexyl-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone
CID 65928056

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone (CID 103282581) is (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone is CC1CCCC1C(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone?
The InChIKey is YOTYRPFNFUBNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-3-2-4-11(9)12(15)14-7-13(16,8-14)10-5-6-10/h9-11,16H,2-8H2,1H3.
What are the key properties of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone?
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone has a molecular weight of 223.32 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 103282581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).