2-formamidopropyl nitrite

C4H8N2O3 — CID 143381347

IUPAC2-formamidopropyl nitrite
SMILESCC(CON=O)NC=O
InChIInChI=1S/C4H8N2O3/c1-4(5-3-7)2-9-6-8/h3-4H,2H2,1H3,(H,5,7)
InChIKeyBFKHYVXWRSXEHX-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.18
Rot. Bonds5

About 2-formamidopropyl nitrite

2-formamidopropyl nitrite (PubChem CID 143381347) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is 2-formamidopropyl nitrite.

Molecular Properties

Compound Name2-formamidopropyl nitrite
PubChem CID143381347
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name2-formamidopropyl nitrite
SMILESCC(CON=O)NC=O
InChIInChI=1S/C4H8N2O3/c1-4(5-3-7)2-9-6-8/h3-4H,2H2,1H3,(H,5,7)
InChIKeyBFKHYVXWRSXEHX-UHFFFAOYSA-N
XLogP-0.18
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formamidopropyl nitrite?
The IUPAC name of 2-formamidopropyl nitrite (CID 143381347) is 2-formamidopropyl nitrite.
What is the SMILES notation for 2-formamidopropyl nitrite?
The canonical SMILES for 2-formamidopropyl nitrite is CC(CON=O)NC=O.
What is the InChIKey of 2-formamidopropyl nitrite?
The InChIKey is BFKHYVXWRSXEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c1-4(5-3-7)2-9-6-8/h3-4H,2H2,1H3,(H,5,7).
What are the key properties of 2-formamidopropyl nitrite?
2-formamidopropyl nitrite has a molecular weight of 132.12 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamidopropyl nitrite is sourced from PubChem (CID 143381347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).