1-nitrosopyrrolidin-3-ol

C4H8N2O2 — CID 3034827

IUPAC1-nitrosopyrrolidin-3-ol
SMILESO=NN1CCC(O)C1
InChIInChI=1S/C4H8N2O2/c7-4-1-2-6(3-4)5-8/h4,7H,1-3H2
InChIKeyXDZKGLWJXJTZJZ-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.27
Rot. Bonds1

About 1-nitrosopyrrolidin-3-ol

1-nitrosopyrrolidin-3-ol (PubChem CID 3034827) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 1-nitrosopyrrolidin-3-ol.

Molecular Properties

Compound Name1-nitrosopyrrolidin-3-ol
PubChem CID3034827
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name1-nitrosopyrrolidin-3-ol
SMILESO=NN1CCC(O)C1
InChIInChI=1S/C4H8N2O2/c7-4-1-2-6(3-4)5-8/h4,7H,1-3H2
InChIKeyXDZKGLWJXJTZJZ-UHFFFAOYSA-N
XLogP-0.27
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-nitrosopyrrolidin-3-ol?
The IUPAC name of 1-nitrosopyrrolidin-3-ol (CID 3034827) is 1-nitrosopyrrolidin-3-ol.
What is the SMILES notation for 1-nitrosopyrrolidin-3-ol?
The canonical SMILES for 1-nitrosopyrrolidin-3-ol is O=NN1CCC(O)C1.
What is the InChIKey of 1-nitrosopyrrolidin-3-ol?
The InChIKey is XDZKGLWJXJTZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c7-4-1-2-6(3-4)5-8/h4,7H,1-3H2.
What are the key properties of 1-nitrosopyrrolidin-3-ol?
1-nitrosopyrrolidin-3-ol has a molecular weight of 116.12 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitrosopyrrolidin-3-ol is sourced from PubChem (CID 3034827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).