(1-oxidoazetidin-1-ium-1-yl) silylformate

C4H9NO3Si — CID 173428973

IUPAC(1-oxidoazetidin-1-ium-1-yl) silylformate
SMILESO=C([SiH3])O[N+]1([O-])CCC1
InChIInChI=1S/C4H9NO3Si/c6-4(9)8-5(7)2-1-3-5/h1-3H2,9H3
InChIKeyZMKJOYGVPODVBP-UHFFFAOYSA-N
MW147.21 g/mol
LogP-0.88
Rot. Bonds1

About (1-oxidoazetidin-1-ium-1-yl) silylformate

(1-oxidoazetidin-1-ium-1-yl) silylformate (PubChem CID 173428973) has the molecular formula C4H9NO3Si and a molecular weight of 147.21 g/mol. Its IUPAC name is (1-oxidoazetidin-1-ium-1-yl) silylformate.

Molecular Properties

Compound Name(1-oxidoazetidin-1-ium-1-yl) silylformate
PubChem CID173428973
Molecular FormulaC4H9NO3Si
Molecular Weight147.21 g/mol
Exact Mass147.04
IUPAC Name(1-oxidoazetidin-1-ium-1-yl) silylformate
SMILESO=C([SiH3])O[N+]1([O-])CCC1
InChIInChI=1S/C4H9NO3Si/c6-4(9)8-5(7)2-1-3-5/h1-3H2,9H3
InChIKeyZMKJOYGVPODVBP-UHFFFAOYSA-N
XLogP-0.88
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.21
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(1-oxidoazetidin-1-ium-1-yl) acetate
CID 87410389
1-oxidopyrrolidin-1-ium-1-carboxylic acid
CID 87105771
(1,4-dioxidopiperazin-1-ium-1-yl) (2S)-2-(methylamino)propanoate
CID 88690354
prop-2-enyl 1-oxidopyrrolidin-1-ium-1-carboxylate
CID 87196007
1-hydroxy-1-oxidopiperidin-1-ium
CID 87246241
5-azoniaspiro[4.5]decane acetate
CID 139511127
methyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4-dioxidopiperazine-1,4-diium-1-yl]acetyl]amino]acetate
CID 100928752
calcium;cyclohexane;carbonate
CID 163512778
butyl 1-oxidopiperidin-1-ium-1-carboxylate
CID 87435575
bis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate
CID 67154984
[(1S,8S)-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
CID 10523
(1-methylpiperidin-1-ium-1-yl)methyl carbonate
CID 166871618

Frequently Asked Questions

What is the IUPAC name of (1-oxidoazetidin-1-ium-1-yl) silylformate?
The IUPAC name of (1-oxidoazetidin-1-ium-1-yl) silylformate (CID 173428973) is (1-oxidoazetidin-1-ium-1-yl) silylformate.
What is the SMILES notation for (1-oxidoazetidin-1-ium-1-yl) silylformate?
The canonical SMILES for (1-oxidoazetidin-1-ium-1-yl) silylformate is O=C([SiH3])O[N+]1([O-])CCC1.
What is the InChIKey of (1-oxidoazetidin-1-ium-1-yl) silylformate?
The InChIKey is ZMKJOYGVPODVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3Si/c6-4(9)8-5(7)2-1-3-5/h1-3H2,9H3.
What are the key properties of (1-oxidoazetidin-1-ium-1-yl) silylformate?
(1-oxidoazetidin-1-ium-1-yl) silylformate has a molecular weight of 147.21 g/mol, XLogP of -0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxidoazetidin-1-ium-1-yl) silylformate is sourced from PubChem (CID 173428973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).