propan-2-yl nitrite

C3H7NO2 — CID 10929

IUPACpropan-2-yl nitrite
SMILESCC(C)ON=O
InChIInChI=1S/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3
InChIKeySKRDXYBATCVEMS-UHFFFAOYSA-N
MW89.09 g/mol
LogP1.09
Rot. Bonds2

About propan-2-yl nitrite

propan-2-yl nitrite (PubChem CID 10929) has the molecular formula C3H7NO2 and a molecular weight of 89.09 g/mol. Its IUPAC name is propan-2-yl nitrite.

Molecular Properties

Compound Namepropan-2-yl nitrite
PubChem CID10929
Molecular FormulaC3H7NO2
Molecular Weight89.09 g/mol
Exact Mass89.05
IUPAC Namepropan-2-yl nitrite
SMILESCC(C)ON=O
InChIInChI=1S/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3
InChIKeySKRDXYBATCVEMS-UHFFFAOYSA-N
XLogP1.09
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.09
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl Nitrite
CID 8026
Propylene glycol dinitrate
CID 22933
n-PROPYL NITRATE
CID 12307
1-Methylpropyl nitrite
CID 13544
Ethyl Nitrate
CID 12259
Propyl nitrite
CID 10979
Isopropyl nitrate
CID 15575
2-Butyl nitrate
CID 79123
Pentan-3-yl nitrate
CID 92403
Pentan-3-yl nitrite
CID 71320533
Cyclopropyl nitrate
CID 16065729
Cyclopropyl nitrite
CID 18329119

Frequently Asked Questions

What is the IUPAC name of propan-2-yl nitrite?
The IUPAC name of propan-2-yl nitrite (CID 10929) is propan-2-yl nitrite.
What is the SMILES notation for propan-2-yl nitrite?
The canonical SMILES for propan-2-yl nitrite is CC(C)ON=O.
What is the InChIKey of propan-2-yl nitrite?
The InChIKey is SKRDXYBATCVEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3.
What are the key properties of propan-2-yl nitrite?
propan-2-yl nitrite has a molecular weight of 89.09 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl nitrite is sourced from PubChem (CID 10929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).