2-nitrosopyrrolidine

C4H8N2O — CID 55300079

IUPAC2-nitrosopyrrolidine
SMILESO=NC1CCCN1
InChIInChI=1S/C4H8N2O/c7-6-4-2-1-3-5-4/h4-5H,1-3H2
InChIKeyFUNSGISOADJTMF-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.46
Rot. Bonds1

About 2-nitrosopyrrolidine

2-nitrosopyrrolidine (PubChem CID 55300079) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-nitrosopyrrolidine.

Molecular Properties

Compound Name2-nitrosopyrrolidine
PubChem CID55300079
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name2-nitrosopyrrolidine
SMILESO=NC1CCCN1
InChIInChI=1S/C4H8N2O/c7-6-4-2-1-3-5-4/h4-5H,1-3H2
InChIKeyFUNSGISOADJTMF-UHFFFAOYSA-N
XLogP0.46
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-nitrosopyrrolidine?
The IUPAC name of 2-nitrosopyrrolidine (CID 55300079) is 2-nitrosopyrrolidine.
What is the SMILES notation for 2-nitrosopyrrolidine?
The canonical SMILES for 2-nitrosopyrrolidine is O=NC1CCCN1.
What is the InChIKey of 2-nitrosopyrrolidine?
The InChIKey is FUNSGISOADJTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c7-6-4-2-1-3-5-4/h4-5H,1-3H2.
What are the key properties of 2-nitrosopyrrolidine?
2-nitrosopyrrolidine has a molecular weight of 100.12 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosopyrrolidine is sourced from PubChem (CID 55300079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).