1-nitroso-5-pyridin-3-ylpyrrolidin-3-ol

C9H11N3O2 — CID 12613536

IUPAC1-nitroso-5-pyridin-3-ylpyrrolidin-3-ol
SMILESO=NN1CC(O)CC1c1cccnc1
InChIInChI=1S/C9H11N3O2/c13-8-4-9(12(6-8)11-14)7-2-1-3-10-5-7/h1-3,5,8-9,13H,4,6H2
InChIKeyKOFHPSNJKBCTIK-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.87
Rot. Bonds2

About 1-nitroso-5-pyridin-3-ylpyrrolidin-3-ol

1-nitroso-5-pyridin-3-ylpyrrolidin-3-ol (PubChem CID 12613536) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-nitroso-5-pyridin-3-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-nitroso-5-pyridin-3-ylpyrrolidin-3-ol
PubChem CID12613536
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-nitroso-5-pyridin-3-ylpyrrolidin-3-ol
SMILESO=NN1CC(O)CC1c1cccnc1
InChIInChI=1S/C9H11N3O2/c13-8-4-9(12(6-8)11-14)7-2-1-3-10-5-7/h1-3,5,8-9,13H,4,6H2
InChIKeyKOFHPSNJKBCTIK-UHFFFAOYSA-N
XLogP0.87
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-nitroso-5-pyridin-3-ylpyrrolidin-3-ol?
The IUPAC name of 1-nitroso-5-pyridin-3-ylpyrrolidin-3-ol (CID 12613536) is 1-nitroso-5-pyridin-3-ylpyrrolidin-3-ol.
What is the SMILES notation for 1-nitroso-5-pyridin-3-ylpyrrolidin-3-ol?
The canonical SMILES for 1-nitroso-5-pyridin-3-ylpyrrolidin-3-ol is O=NN1CC(O)CC1c1cccnc1.
What is the InChIKey of 1-nitroso-5-pyridin-3-ylpyrrolidin-3-ol?
The InChIKey is KOFHPSNJKBCTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-8-4-9(12(6-8)11-14)7-2-1-3-10-5-7/h1-3,5,8-9,13H,4,6H2.
What are the key properties of 1-nitroso-5-pyridin-3-ylpyrrolidin-3-ol?
1-nitroso-5-pyridin-3-ylpyrrolidin-3-ol has a molecular weight of 193.21 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-5-pyridin-3-ylpyrrolidin-3-ol is sourced from PubChem (CID 12613536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).