2-oxo-5-pyridin-2-yloxolane-3-carbonitrile

C10H8N2O2 — CID 82125421

IUPAC2-oxo-5-pyridin-2-yloxolane-3-carbonitrile
SMILESN#CC1CC(c2ccccn2)OC1=O
InChIInChI=1S/C10H8N2O2/c11-6-7-5-9(14-10(7)13)8-3-1-2-4-12-8/h1-4,7,9H,5H2
InChIKeyORVWNQPAQWBMSG-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.21
Rot. Bonds1

About 2-oxo-5-pyridin-2-yloxolane-3-carbonitrile

2-oxo-5-pyridin-2-yloxolane-3-carbonitrile (PubChem CID 82125421) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-oxo-5-pyridin-2-yloxolane-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-5-pyridin-2-yloxolane-3-carbonitrile
PubChem CID82125421
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-oxo-5-pyridin-2-yloxolane-3-carbonitrile
SMILESN#CC1CC(c2ccccn2)OC1=O
InChIInChI=1S/C10H8N2O2/c11-6-7-5-9(14-10(7)13)8-3-1-2-4-12-8/h1-4,7,9H,5H2
InChIKeyORVWNQPAQWBMSG-UHFFFAOYSA-N
XLogP1.21
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-pyridin-2-yloxolane-3-carbonitrile?
The IUPAC name of 2-oxo-5-pyridin-2-yloxolane-3-carbonitrile (CID 82125421) is 2-oxo-5-pyridin-2-yloxolane-3-carbonitrile.
What is the SMILES notation for 2-oxo-5-pyridin-2-yloxolane-3-carbonitrile?
The canonical SMILES for 2-oxo-5-pyridin-2-yloxolane-3-carbonitrile is N#CC1CC(c2ccccn2)OC1=O.
What is the InChIKey of 2-oxo-5-pyridin-2-yloxolane-3-carbonitrile?
The InChIKey is ORVWNQPAQWBMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-6-7-5-9(14-10(7)13)8-3-1-2-4-12-8/h1-4,7,9H,5H2.
What are the key properties of 2-oxo-5-pyridin-2-yloxolane-3-carbonitrile?
2-oxo-5-pyridin-2-yloxolane-3-carbonitrile has a molecular weight of 188.19 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-pyridin-2-yloxolane-3-carbonitrile is sourced from PubChem (CID 82125421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).