1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one

C10H17NO3 — CID 63106049

IUPAC1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)N1CC(O)C1
InChIInChI=1S/C10H17NO3/c12-8-6-11(7-8)10(13)4-3-9-2-1-5-14-9/h8-9,12H,1-7H2
InChIKeyZJVCIBVSAOCYIA-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.15
Rot. Bonds3

About 1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one

1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 63106049) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one
PubChem CID63106049
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)N1CC(O)C1
InChIInChI=1S/C10H17NO3/c12-8-6-11(7-8)10(13)4-3-9-2-1-5-14-9/h8-9,12H,1-7H2
InChIKeyZJVCIBVSAOCYIA-UHFFFAOYSA-N
XLogP0.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 79031161
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 103900586
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166
1-(4-bromopiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 80661560
1-(3-chloro-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 102961397
2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515387
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62357278
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
methyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate
CID 112632347
1-[3-(methylaminomethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62048304
1-[3-(bromomethyl)pyrrolidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 80667375
2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515314

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one (CID 63106049) is 1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one is O=C(CCC1CCCO1)N1CC(O)C1.
What is the InChIKey of 1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is ZJVCIBVSAOCYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-8-6-11(7-8)10(13)4-3-9-2-1-5-14-9/h8-9,12H,1-7H2.
What are the key properties of 1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one?
1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 199.25 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 63106049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).