6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one

C11H13N3O2 — CID 172833223

IUPAC6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
SMILESO=C1N2CC(N3C=CC=CC3)=CC(C2)N1O
InChIInChI=1S/C11H13N3O2/c15-11-13-7-9(6-10(8-13)14(11)16)12-4-2-1-3-5-12/h1-4,6,10,16H,5,7-8H2
InChIKeyVUHAYNDHNYWGKG-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.76
Rot. Bonds1

About 6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one

6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one (PubChem CID 172833223) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one.

Molecular Properties

Compound Name6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
PubChem CID172833223
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
SMILESO=C1N2CC(N3C=CC=CC3)=CC(C2)N1O
InChIInChI=1S/C11H13N3O2/c15-11-13-7-9(6-10(8-13)14(11)16)12-4-2-1-3-5-12/h1-4,6,10,16H,5,7-8H2
InChIKeyVUHAYNDHNYWGKG-UHFFFAOYSA-N
XLogP0.76
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The IUPAC name of 6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one (CID 172833223) is 6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one.
What is the SMILES notation for 6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The canonical SMILES for 6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one is O=C1N2CC(N3C=CC=CC3)=CC(C2)N1O.
What is the InChIKey of 6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The InChIKey is VUHAYNDHNYWGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-11-13-7-9(6-10(8-13)14(11)16)12-4-2-1-3-5-12/h1-4,6,10,16H,5,7-8H2.
What are the key properties of 6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one has a molecular weight of 219.24 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one is sourced from PubChem (CID 172833223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).