(3-ethynylazetidin-1-yl)-(3-hydroxy-3-methylcyclobutyl)methanone

C11H15NO2 — CID 141356968

IUPAC(3-ethynylazetidin-1-yl)-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESC#CC1CN(C(=O)C2CC(C)(O)C2)C1
InChIInChI=1S/C11H15NO2/c1-3-8-6-12(7-8)10(13)9-4-11(2,14)5-9/h1,8-9,14H,4-7H2,2H3
InChIKeySYUVCRJKDRORLB-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.24
Rot. Bonds1

About (3-ethynylazetidin-1-yl)-(3-hydroxy-3-methylcyclobutyl)methanone

(3-ethynylazetidin-1-yl)-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 141356968) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3-ethynylazetidin-1-yl)-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name(3-ethynylazetidin-1-yl)-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID141356968
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3-ethynylazetidin-1-yl)-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESC#CC1CN(C(=O)C2CC(C)(O)C2)C1
InChIInChI=1S/C11H15NO2/c1-3-8-6-12(7-8)10(13)9-4-11(2,14)5-9/h1,8-9,14H,4-7H2,2H3
InChIKeySYUVCRJKDRORLB-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 161059263
(3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone
CID 121450223
ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 144802269
CID 177426627
CID 177426627
4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 154315687
butyl 3-ethynylazetidine-1-carboxylate
CID 155738095
1-(cyclohexanecarbonyl)azetidine-3-carbonitrile;ethane
CID 177000428
[(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane
CID 165095352
azetidin-3-yl-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219278
cyclopentyl-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 71999144
(3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 164709989
(7-methyl-7-azaspiro[3.5]nonan-2-yl)-(3-methylazetidin-1-yl)methanone
CID 176954071

Frequently Asked Questions

What is the IUPAC name of (3-ethynylazetidin-1-yl)-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of (3-ethynylazetidin-1-yl)-(3-hydroxy-3-methylcyclobutyl)methanone (CID 141356968) is (3-ethynylazetidin-1-yl)-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for (3-ethynylazetidin-1-yl)-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for (3-ethynylazetidin-1-yl)-(3-hydroxy-3-methylcyclobutyl)methanone is C#CC1CN(C(=O)C2CC(C)(O)C2)C1.
What is the InChIKey of (3-ethynylazetidin-1-yl)-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is SYUVCRJKDRORLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-8-6-12(7-8)10(13)9-4-11(2,14)5-9/h1,8-9,14H,4-7H2,2H3.
What are the key properties of (3-ethynylazetidin-1-yl)-(3-hydroxy-3-methylcyclobutyl)methanone?
(3-ethynylazetidin-1-yl)-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 193.25 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethynylazetidin-1-yl)-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 141356968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).