2-hydroxypropyl nitrite

C3H7NO3 — CID 16739326

IUPAC2-hydroxypropyl nitrite
SMILESCC(O)CON=O
InChIInChI=1S/C3H7NO3/c1-3(5)2-7-4-6/h3,5H,2H2,1H3
InChIKeyKZMYCIZNYWKOFQ-UHFFFAOYSA-N
MW105.09 g/mol
LogP0.07
Rot. Bonds3

About 2-hydroxypropyl nitrite

2-hydroxypropyl nitrite (PubChem CID 16739326) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is 2-hydroxypropyl nitrite.

Molecular Properties

Compound Name2-hydroxypropyl nitrite
PubChem CID16739326
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Name2-hydroxypropyl nitrite
SMILESCC(O)CON=O
InChIInChI=1S/C3H7NO3/c1-3(5)2-7-4-6/h3,5H,2H2,1H3
InChIKeyKZMYCIZNYWKOFQ-UHFFFAOYSA-N
XLogP0.07
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl nitrite?
The IUPAC name of 2-hydroxypropyl nitrite (CID 16739326) is 2-hydroxypropyl nitrite.
What is the SMILES notation for 2-hydroxypropyl nitrite?
The canonical SMILES for 2-hydroxypropyl nitrite is CC(O)CON=O.
What is the InChIKey of 2-hydroxypropyl nitrite?
The InChIKey is KZMYCIZNYWKOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3/c1-3(5)2-7-4-6/h3,5H,2H2,1H3.
What are the key properties of 2-hydroxypropyl nitrite?
2-hydroxypropyl nitrite has a molecular weight of 105.09 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl nitrite is sourced from PubChem (CID 16739326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).