[(2R)-2-hydroxypropyl] nitrite

C3H7NO3 — CID 150898470

IUPAC[(2R)-2-hydroxypropyl] nitrite
SMILESC[C@@H](O)CON=O
InChIInChI=1S/C3H7NO3/c1-3(5)2-7-4-6/h3,5H,2H2,1H3/t3-/m1/s1
InChIKeyKZMYCIZNYWKOFQ-GSVOUGTGSA-N
MW105.09 g/mol
LogP0.07
Rot. Bonds3

About [(2R)-2-hydroxypropyl] nitrite

[(2R)-2-hydroxypropyl] nitrite (PubChem CID 150898470) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is [(2R)-2-hydroxypropyl] nitrite.

Molecular Properties

Compound Name[(2R)-2-hydroxypropyl] nitrite
PubChem CID150898470
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Name[(2R)-2-hydroxypropyl] nitrite
SMILESC[C@@H](O)CON=O
InChIInChI=1S/C3H7NO3/c1-3(5)2-7-4-6/h3,5H,2H2,1H3/t3-/m1/s1
InChIKeyKZMYCIZNYWKOFQ-GSVOUGTGSA-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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Related Compounds

2,3,4,5-tetrahydroxyhexyl nitrite
CID 163783121
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1-[(E)-butan-2-ylideneamino]oxypropan-2-ol
CID 18931756
2-hydroxypropyl acetate;mercury
CID 174858394
2-formamidopropyl nitrite
CID 143381347
2-(2-hydroxypropoxy)propyl hydrogen carbonate
CID 87304467
2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000
2-[2-(2-hydroxypropoxy)propoxy]propyl acetate
CID 87518170
ethanol;2-hydroxypropyl acetate
CID 88717262
3-methylbutyl nitrite;nitrous acid
CID 89396637
2-hydroxypropoxycarbonyl(trimethyl)azanium
CID 175444209
hexakis(2-hydroxypropyl methyl carbonate);methane;hexakis(yttrium)
CID 157481977

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxypropyl] nitrite?
The IUPAC name of [(2R)-2-hydroxypropyl] nitrite (CID 150898470) is [(2R)-2-hydroxypropyl] nitrite.
What is the SMILES notation for [(2R)-2-hydroxypropyl] nitrite?
The canonical SMILES for [(2R)-2-hydroxypropyl] nitrite is C[C@@H](O)CON=O.
What is the InChIKey of [(2R)-2-hydroxypropyl] nitrite?
The InChIKey is KZMYCIZNYWKOFQ-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H7NO3/c1-3(5)2-7-4-6/h3,5H,2H2,1H3/t3-/m1/s1.
What are the key properties of [(2R)-2-hydroxypropyl] nitrite?
[(2R)-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 [(2R)-2-hydroxypropyl] nitrite is sourced from PubChem (CID 150898470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).