2-aminooxolan-3-one

C4H7NO2 — CID 70105580

IUPAC2-aminooxolan-3-one
SMILESNC1OCCC1=O
InChIInChI=1S/C4H7NO2/c5-4-3(6)1-2-7-4/h4H,1-2,5H2
InChIKeyCDZOHVBTWGHYKP-UHFFFAOYSA-N
MW101.10 g/mol
LogP-0.74
Rot. Bonds

About 2-aminooxolan-3-one

2-aminooxolan-3-one (PubChem CID 70105580) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is 2-aminooxolan-3-one.

Molecular Properties

Compound Name2-aminooxolan-3-one
PubChem CID70105580
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name2-aminooxolan-3-one
SMILESNC1OCCC1=O
InChIInChI=1S/C4H7NO2/c5-4-3(6)1-2-7-4/h4H,1-2,5H2
InChIKeyCDZOHVBTWGHYKP-UHFFFAOYSA-N
XLogP-0.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminooxolan-3-one?
The IUPAC name of 2-aminooxolan-3-one (CID 70105580) is 2-aminooxolan-3-one.
What is the SMILES notation for 2-aminooxolan-3-one?
The canonical SMILES for 2-aminooxolan-3-one is NC1OCCC1=O.
What is the InChIKey of 2-aminooxolan-3-one?
The InChIKey is CDZOHVBTWGHYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c5-4-3(6)1-2-7-4/h4H,1-2,5H2.
What are the key properties of 2-aminooxolan-3-one?
2-aminooxolan-3-one has a molecular weight of 101.10 g/mol, XLogP of -0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxolan-3-one is sourced from PubChem (CID 70105580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).