(3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone

C13H23NO2 — CID 106827897

IUPAC(3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone
SMILESCCC1(O)CN(C(=O)C2(C)CCCCC2)C1
InChIInChI=1S/C13H23NO2/c1-3-13(16)9-14(10-13)11(15)12(2)7-5-4-6-8-12/h16H,3-10H2,1-2H3
InChIKeyBGXTYKWDXLTEET-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.94
Rot. Bonds2

About (3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone

(3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone (PubChem CID 106827897) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone
PubChem CID106827897
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone
SMILESCCC1(O)CN(C(=O)C2(C)CCCCC2)C1
InChIInChI=1S/C13H23NO2/c1-3-13(16)9-14(10-13)11(15)12(2)7-5-4-6-8-12/h16H,3-10H2,1-2H3
InChIKeyBGXTYKWDXLTEET-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethyl-3-hydroxyazetidin-1-yl)-piperidin-1-ylmethanone
CID 79156175
2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 107214560
(3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone
CID 165465972
(3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 107219522
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone
CID 105081761
1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103557185
2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
CID 107219490
[4-(2-bromoethyl)piperazin-1-yl]-(1-methylcyclopentyl)methanone
CID 80660920
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
CID 110027381
1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one
CID 130562004
2-[4-(1-methylcyclohexanecarbonyl)piperazin-1-yl]butanenitrile
CID 106827291
ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
CID 81344303

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone?
The IUPAC name of (3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone (CID 106827897) is (3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone.
What is the SMILES notation for (3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone?
The canonical SMILES for (3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone is CCC1(O)CN(C(=O)C2(C)CCCCC2)C1.
What is the InChIKey of (3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone?
The InChIKey is BGXTYKWDXLTEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-13(16)9-14(10-13)11(15)12(2)7-5-4-6-8-12/h16H,3-10H2,1-2H3.
What are the key properties of (3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone?
(3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone has a molecular weight of 225.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106827897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).