2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone

C10H17NO2 — CID 130757980

IUPAC2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone
SMILESO=C(CN1CCC1)C1CCCOC1
InChIInChI=1S/C10H17NO2/c12-10(7-11-4-2-5-11)9-3-1-6-13-8-9/h9H,1-8H2
InChIKeyUPGZZUKFNWABFA-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.69
Rot. Bonds3

About 2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone

2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone (PubChem CID 130757980) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone
PubChem CID130757980
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone
SMILESO=C(CN1CCC1)C1CCCOC1
InChIInChI=1S/C10H17NO2/c12-10(7-11-4-2-5-11)9-3-1-6-13-8-9/h9H,1-8H2
InChIKeyUPGZZUKFNWABFA-UHFFFAOYSA-N
XLogP0.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetyl-1,4-diazepan-1-yl)-1-(oxolan-3-yl)ethanone
CID 104750236
1-(oxolan-3-yl)-2-piperazin-1-ylethanone
CID 104750458
1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide
CID 104749892
2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone
CID 104750677
1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498923
1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 104749907
2-bromo-1-(oxan-3-yl)ethanone
CID 75356444
2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone
CID 106836620
oxane-3-carboxamide
CID 22714381
1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 104749860
1-(oxan-3-yl)pentan-1-one
CID 65332332
3-(dimethylamino)-1-(oxan-3-yl)propan-1-one
CID 107135975

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone?
The IUPAC name of 2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone (CID 130757980) is 2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone.
What is the SMILES notation for 2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone?
The canonical SMILES for 2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone is O=C(CN1CCC1)C1CCCOC1.
What is the InChIKey of 2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone?
The InChIKey is UPGZZUKFNWABFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(7-11-4-2-5-11)9-3-1-6-13-8-9/h9H,1-8H2.
What are the key properties of 2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone?
2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone has a molecular weight of 183.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone is sourced from PubChem (CID 130757980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).