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

C4H8ClNO2 — CID 11147752

IUPAC[(3S)-5-oxooxolan-3-yl]azanium chloride
SMILES[Cl-].[NH3+][C@@H]1COC(=O)C1
InChIInChI=1S/C4H7NO2.ClH/c5-3-1-4(6)7-2-3;/h3H,1-2,5H2;1H/t3-;/m0./s1
InChIKeyMZYONVUDAOYDKV-DFWYDOINSA-N
MW137.57 g/mol
LogP-4.45
Rot. Bonds

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

[(3S)-5-oxooxolan-3-yl]azanium chloride (PubChem CID 11147752) has the molecular formula C4H8ClNO2 and a molecular weight of 137.57 g/mol. Its IUPAC name is [(3S)-5-oxooxolan-3-yl]azanium chloride.

Molecular Properties

Compound Name[(3S)-5-oxooxolan-3-yl]azanium chloride
PubChem CID11147752
Molecular FormulaC4H8ClNO2
Molecular Weight137.57 g/mol
Exact Mass137.02
IUPAC Name[(3S)-5-oxooxolan-3-yl]azanium chloride
SMILES[Cl-].[NH3+][C@@H]1COC(=O)C1
InChIInChI=1S/C4H7NO2.ClH/c5-3-1-4(6)7-2-3;/h3H,1-2,5H2;1H/t3-;/m0./s1
InChIKeyMZYONVUDAOYDKV-DFWYDOINSA-N
XLogP-4.45
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.57
LogP ≤ 5-4.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-5-oxooxolan-3-yl]azanium
CID 51520662
4-(5-oxooxolan-3-yl)oxolan-2-one
CID 89449763
(3R)-5-oxooxolane-3-carbonitrile
CID 89319230
(4S)-4-methyloxolan-2-one
CID 11115993
(4R)-4-methyloxolan-2-one
CID 5325910
4-fluorooxolan-2-one
CID 11480406
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 chloride?
The IUPAC name of [(3S)-5-oxooxolan-3-yl]azanium chloride (CID 11147752) is [(3S)-5-oxooxolan-3-yl]azanium chloride.
What is the SMILES notation for [(3S)-5-oxooxolan-3-yl]azanium chloride?
The canonical SMILES for [(3S)-5-oxooxolan-3-yl]azanium chloride is [Cl-].[NH3+][C@@H]1COC(=O)C1.
What is the InChIKey of [(3S)-5-oxooxolan-3-yl]azanium chloride?
The InChIKey is MZYONVUDAOYDKV-DFWYDOINSA-N. The full InChI is InChI=1S/C4H7NO2.ClH/c5-3-1-4(6)7-2-3;/h3H,1-2,5H2;1H/t3-;/m0./s1.
What are the key properties of [(3S)-5-oxooxolan-3-yl]azanium chloride?
[(3S)-5-oxooxolan-3-yl]azanium chloride has a molecular weight of 137.57 g/mol, XLogP of -4.45, 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 chloride is sourced from PubChem (CID 11147752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).