cyclopropyl nitrite

C3H5NO2 — CID 18329119

IUPACcyclopropyl nitrite
SMILESO=NOC1CC1
InChIInChI=1S/C3H5NO2/c5-4-6-3-1-2-3/h3H,1-2H2
InChIKeyPMFCHHHRWZFGJZ-UHFFFAOYSA-N
MW87.08 g/mol
LogP0.85
Rot. Bonds2

About cyclopropyl nitrite

cyclopropyl nitrite (PubChem CID 18329119) has the molecular formula C3H5NO2 and a molecular weight of 87.08 g/mol. Its IUPAC name is cyclopropyl nitrite.

Molecular Properties

Compound Namecyclopropyl nitrite
PubChem CID18329119
Molecular FormulaC3H5NO2
Molecular Weight87.08 g/mol
Exact Mass87.03
IUPAC Namecyclopropyl nitrite
SMILESO=NOC1CC1
InChIInChI=1S/C3H5NO2/c5-4-6-3-1-2-3/h3H,1-2H2
InChIKeyPMFCHHHRWZFGJZ-UHFFFAOYSA-N
XLogP0.85
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 50.85
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

Isopropyl nitrate
CID 15575
Isopropyl nitrite
CID 10929
Cyclopropyl nitrate
CID 16065729
(Dihydroxyamino)oxycyclopropane
CID 66827935
(Oxidoamino)oxycyclopropane
CID 163716498

Frequently Asked Questions

What is the IUPAC name of cyclopropyl nitrite?
The IUPAC name of cyclopropyl nitrite (CID 18329119) is cyclopropyl nitrite.
What is the SMILES notation for cyclopropyl nitrite?
The canonical SMILES for cyclopropyl nitrite is O=NOC1CC1.
What is the InChIKey of cyclopropyl nitrite?
The InChIKey is PMFCHHHRWZFGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2/c5-4-6-3-1-2-3/h3H,1-2H2.
What are the key properties of cyclopropyl nitrite?
cyclopropyl nitrite has a molecular weight of 87.08 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl nitrite is sourced from PubChem (CID 18329119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).