[(3R)-oxolan-3-yl] nitrite

C4H7NO3 — CID 145031788

IUPAC[(3R)-oxolan-3-yl] nitrite
SMILESO=NO[C@@H]1CCOC1
InChIInChI=1S/C4H7NO3/c6-5-8-4-1-2-7-3-4/h4H,1-3H2/t4-/m1/s1
InChIKeyQFJOAOFGRVOHBN-SCSAIBSYSA-N
MW117.10 g/mol
LogP0.47
Rot. Bonds2

About [(3R)-oxolan-3-yl] nitrite

[(3R)-oxolan-3-yl] nitrite (PubChem CID 145031788) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] nitrite.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl] nitrite
PubChem CID145031788
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name[(3R)-oxolan-3-yl] nitrite
SMILESO=NO[C@@H]1CCOC1
InChIInChI=1S/C4H7NO3/c6-5-8-4-1-2-7-3-4/h4H,1-3H2/t4-/m1/s1
InChIKeyQFJOAOFGRVOHBN-SCSAIBSYSA-N
XLogP0.47
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(oxolan-3-yloxy)oxolane
CID 57449306
(3S)-3-[(3S)-oxolan-3-yl]oxyoxolane
CID 142760220
oxolan-3-yloxyphosphane
CID 163403367
[(3S)-oxolan-3-yl] formate
CID 22868233
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
CID 163830493
CID 163830493
2-(oxolan-3-yloxy)acetaldehyde
CID 54518073
3-(trifluoromethoxy)oxolane
CID 89404846
(3S)-3-nitrosooxolane
CID 129110439
ethane;3-ethoxyoxolane
CID 142523367
oxolan-3-yloxy(sulfanyl)phosphinous acid
CID 167126046
3-propoxyoxolane
CID 14071397

Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl] nitrite?
The IUPAC name of [(3R)-oxolan-3-yl] nitrite (CID 145031788) is [(3R)-oxolan-3-yl] nitrite.
What is the SMILES notation for [(3R)-oxolan-3-yl] nitrite?
The canonical SMILES for [(3R)-oxolan-3-yl] nitrite is O=NO[C@@H]1CCOC1.
What is the InChIKey of [(3R)-oxolan-3-yl] nitrite?
The InChIKey is QFJOAOFGRVOHBN-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H7NO3/c6-5-8-4-1-2-7-3-4/h4H,1-3H2/t4-/m1/s1.
What are the key properties of [(3R)-oxolan-3-yl] nitrite?
[(3R)-oxolan-3-yl] nitrite has a molecular weight of 117.10 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl] nitrite is sourced from PubChem (CID 145031788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).