[(3S)-5-oxooxolan-3-yl]azanium

C4H8NO2+ — CID 51520662

IUPAC[(3S)-5-oxooxolan-3-yl]azanium
SMILES[NH3+][C@@H]1COC(=O)C1
InChIInChI=1S/C4H7NO2/c5-3-1-4(6)7-2-3/h3H,1-2,5H2/p+1/t3-/m0/s1
InChIKeyIFDRUMHFSJJIGX-VKHMYHEASA-O
MW102.11 g/mol
LogP-1.46
Rot. Bonds

About [(3S)-5-oxooxolan-3-yl]azanium

[(3S)-5-oxooxolan-3-yl]azanium (PubChem CID 51520662) has the molecular formula C4H8NO2+ and a molecular weight of 102.11 g/mol. Its IUPAC name is [(3S)-5-oxooxolan-3-yl]azanium.

Molecular Properties

Compound Name[(3S)-5-oxooxolan-3-yl]azanium
PubChem CID51520662
Molecular FormulaC4H8NO2+
Molecular Weight102.11 g/mol
Exact Mass102.05
IUPAC Name[(3S)-5-oxooxolan-3-yl]azanium
SMILES[NH3+][C@@H]1COC(=O)C1
InChIInChI=1S/C4H7NO2/c5-3-1-4(6)7-2-3/h3H,1-2,5H2/p+1/t3-/m0/s1
InChIKeyIFDRUMHFSJJIGX-VKHMYHEASA-O
XLogP-1.46
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-5-oxooxolan-3-yl]azanium chloride
CID 11147752
4-(5-oxooxolan-3-yl)oxolan-2-one
CID 89449763
(3R)-5-oxooxolane-3-carbonitrile
CID 89319230
(4S)-4-methyloxolan-2-one
CID 11115993
4-fluorooxolan-2-one
CID 11480406
(4R)-4-methyloxolan-2-one
CID 5325910
4-(methylamino)oxolan-2-one
CID 22270042
4-propan-2-yloxolan-2-one
CID 10997052
4-cyclopentyloxolan-2-one
CID 12664736
(4S)-4-(fluoromethyl)oxolan-2-one;sulfane
CID 158550515
(4S)-4-acetyloxolan-2-one
CID 54075374
3,9-dioxabicyclo[4.2.1]non-7-en-4-one
CID 73124090

Frequently Asked Questions

What is the IUPAC name of [(3S)-5-oxooxolan-3-yl]azanium?
The IUPAC name of [(3S)-5-oxooxolan-3-yl]azanium (CID 51520662) is [(3S)-5-oxooxolan-3-yl]azanium.
What is the SMILES notation for [(3S)-5-oxooxolan-3-yl]azanium?
The canonical SMILES for [(3S)-5-oxooxolan-3-yl]azanium is [NH3+][C@@H]1COC(=O)C1.
What is the InChIKey of [(3S)-5-oxooxolan-3-yl]azanium?
The InChIKey is IFDRUMHFSJJIGX-VKHMYHEASA-O. The full InChI is InChI=1S/C4H7NO2/c5-3-1-4(6)7-2-3/h3H,1-2,5H2/p+1/t3-/m0/s1.
What are the key properties of [(3S)-5-oxooxolan-3-yl]azanium?
[(3S)-5-oxooxolan-3-yl]azanium has a molecular weight of 102.11 g/mol, XLogP of -1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-oxooxolan-3-yl]azanium is sourced from PubChem (CID 51520662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).