4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one

C8H15NO2 — CID 130847612

IUPAC4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one
SMILESCC(=O)CCN1CC(C)(O)C1
InChIInChI=1S/C8H15NO2/c1-7(10)3-4-9-5-8(2,11)6-9/h11H,3-6H2,1-2H3
InChIKeyJRWIHALWGMWPPB-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.03
Rot. Bonds3

About 4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one

4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one (PubChem CID 130847612) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one
PubChem CID130847612
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one
SMILESCC(=O)CCN1CC(C)(O)C1
InChIInChI=1S/C8H15NO2/c1-7(10)3-4-9-5-8(2,11)6-9/h11H,3-6H2,1-2H3
InChIKeyJRWIHALWGMWPPB-UHFFFAOYSA-N
XLogP0.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one
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4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one
CID 130660307
3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide
CID 130979083
1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one
CID 131181729
4-(3-ethynyl-3-hydroxypyrrolidin-1-yl)butan-2-one
CID 131207055
4-(3-acetyl-4-hydroxy-4-methylpiperidin-1-yl)butan-2-one
CID 131855315
4-(4-ethylpiperazin-1-yl)butan-2-one
CID 20802873
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one
CID 63635156
4-(8-azaspiro[4.5]decan-8-yl)butan-2-one
CID 63158919
methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanoate
CID 103729366
3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol
CID 106729226

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one?
The IUPAC name of 4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one (CID 130847612) is 4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one.
What is the SMILES notation for 4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one?
The canonical SMILES for 4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one is CC(=O)CCN1CC(C)(O)C1.
What is the InChIKey of 4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one?
The InChIKey is JRWIHALWGMWPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(10)3-4-9-5-8(2,11)6-9/h11H,3-6H2,1-2H3.
What are the key properties of 4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one?
4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one is sourced from PubChem (CID 130847612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).