1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one

C10H12N2O2 — CID 158578018

IUPAC1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one
SMILESC=CN1C=CC=CC1.O=c1[nH]cco1
InChIInChI=1S/C7H9N.C3H3NO2/c1-2-8-6-4-3-5-7-8;5-3-4-1-2-6-3/h2-6H,1,7H2;1-2H,(H,4,5)
InChIKeyHSXAIXXBJXUJSR-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.48
Rot. Bonds1

About 1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one

1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one (PubChem CID 158578018) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one
PubChem CID158578018
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one
SMILESC=CN1C=CC=CC1.O=c1[nH]cco1
InChIInChI=1S/C7H9N.C3H3NO2/c1-2-8-6-4-3-5-7-8;5-3-4-1-2-6-3/h2-6H,1,7H2;1-2H,(H,4,5)
InChIKeyHSXAIXXBJXUJSR-UHFFFAOYSA-N
XLogP1.48
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one?
The IUPAC name of 1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one (CID 158578018) is 1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one.
What is the SMILES notation for 1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one?
The canonical SMILES for 1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one is C=CN1C=CC=CC1.O=c1[nH]cco1.
What is the InChIKey of 1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one?
The InChIKey is HSXAIXXBJXUJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C3H3NO2/c1-2-8-6-4-3-5-7-8;5-3-4-1-2-6-3/h2-6H,1,7H2;1-2H,(H,4,5).
What are the key properties of 1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one?
1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one has a molecular weight of 192.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one is sourced from PubChem (CID 158578018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).