(3S)-3-nitrosopyrrolidine

C4H8N2O — CID 88869784

IUPAC(3S)-3-nitrosopyrrolidine
SMILESO=N[C@H]1CCNC1
InChIInChI=1S/C4H8N2O/c7-6-4-1-2-5-3-4/h4-5H,1-3H2/t4-/m0/s1
InChIKeyBCWIFWVHOAIZOT-BYPYZUCNSA-N
MW100.12 g/mol
LogP0.11
Rot. Bonds1

About (3S)-3-nitrosopyrrolidine

(3S)-3-nitrosopyrrolidine (PubChem CID 88869784) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (3S)-3-nitrosopyrrolidine.

Molecular Properties

Compound Name(3S)-3-nitrosopyrrolidine
PubChem CID88869784
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(3S)-3-nitrosopyrrolidine
SMILESO=N[C@H]1CCNC1
InChIInChI=1S/C4H8N2O/c7-6-4-1-2-5-3-4/h4-5H,1-3H2/t4-/m0/s1
InChIKeyBCWIFWVHOAIZOT-BYPYZUCNSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-nitrosopyrrolidine?
The IUPAC name of (3S)-3-nitrosopyrrolidine (CID 88869784) is (3S)-3-nitrosopyrrolidine.
What is the SMILES notation for (3S)-3-nitrosopyrrolidine?
The canonical SMILES for (3S)-3-nitrosopyrrolidine is O=N[C@H]1CCNC1.
What is the InChIKey of (3S)-3-nitrosopyrrolidine?
The InChIKey is BCWIFWVHOAIZOT-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8N2O/c7-6-4-1-2-5-3-4/h4-5H,1-3H2/t4-/m0/s1.
What are the key properties of (3S)-3-nitrosopyrrolidine?
(3S)-3-nitrosopyrrolidine has a molecular weight of 100.12 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-nitrosopyrrolidine is sourced from PubChem (CID 88869784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).