(3S)-3-nitrosooxolane

C4H7NO2 — CID 129110439

IUPAC(3S)-3-nitrosooxolane
SMILESO=N[C@H]1CCOC1
InChIInChI=1S/C4H7NO2/c6-5-4-1-2-7-3-4/h4H,1-3H2/t4-/m0/s1
InChIKeySGBQAEZKMBWKQQ-BYPYZUCNSA-N
MW101.11 g/mol
LogP0.54
Rot. Bonds1

About (3S)-3-nitrosooxolane

(3S)-3-nitrosooxolane (PubChem CID 129110439) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is (3S)-3-nitrosooxolane.

Molecular Properties

Compound Name(3S)-3-nitrosooxolane
PubChem CID129110439
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Name(3S)-3-nitrosooxolane
SMILESO=N[C@H]1CCOC1
InChIInChI=1S/C4H7NO2/c6-5-4-1-2-7-3-4/h4H,1-3H2/t4-/m0/s1
InChIKeySGBQAEZKMBWKQQ-BYPYZUCNSA-N
XLogP0.54
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-nitrosooxolane?
The IUPAC name of (3S)-3-nitrosooxolane (CID 129110439) is (3S)-3-nitrosooxolane.
What is the SMILES notation for (3S)-3-nitrosooxolane?
The canonical SMILES for (3S)-3-nitrosooxolane is O=N[C@H]1CCOC1.
What is the InChIKey of (3S)-3-nitrosooxolane?
The InChIKey is SGBQAEZKMBWKQQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H7NO2/c6-5-4-1-2-7-3-4/h4H,1-3H2/t4-/m0/s1.
What are the key properties of (3S)-3-nitrosooxolane?
(3S)-3-nitrosooxolane has a molecular weight of 101.11 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-nitrosooxolane is sourced from PubChem (CID 129110439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).