(3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone

C15H19NO2 — CID 63107346

IUPAC(3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
SMILESCc1cccc(C2(C(=O)N3CC(O)C3)CCC2)c1
InChIInChI=1S/C15H19NO2/c1-11-4-2-5-12(8-11)15(6-3-7-15)14(18)16-9-13(17)10-16/h2,4-5,8,13,17H,3,6-7,9-10H2,1H3
InChIKeyMFRJOXUKBUGUAN-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.62
Rot. Bonds2

About (3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone

(3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone (PubChem CID 63107346) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
PubChem CID63107346
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
SMILESCc1cccc(C2(C(=O)N3CC(O)C3)CCC2)c1
InChIInChI=1S/C15H19NO2/c1-11-4-2-5-12(8-11)15(6-3-7-15)14(18)16-9-13(17)10-16/h2,4-5,8,13,17H,3,6-7,9-10H2,1H3
InChIKeyMFRJOXUKBUGUAN-UHFFFAOYSA-N
XLogP1.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)cyclobutyl]methanone
CID 79410950
(3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 43416776
(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119376299
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone
CID 71927956
4-[1-(3-methylphenyl)cyclobutanecarbonyl]-1,4-diazepan-2-one
CID 62897383
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168328
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide
CID 154736148
[1-(3-chlorophenyl)cyclohexyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560944
propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724219
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 128649441

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone (CID 63107346) is (3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone is Cc1cccc(C2(C(=O)N3CC(O)C3)CCC2)c1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone?
The InChIKey is MFRJOXUKBUGUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-4-2-5-12(8-11)15(6-3-7-15)14(18)16-9-13(17)10-16/h2,4-5,8,13,17H,3,6-7,9-10H2,1H3.
What are the key properties of (3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone?
(3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone has a molecular weight of 245.32 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone is sourced from PubChem (CID 63107346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).