6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile

C9H8N2O — CID 178185866

IUPAC6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile
SMILESC=C1C=C(C#N)C(=O)N=C1CC
InChIInChI=1S/C9H8N2O/c1-3-8-6(2)4-7(5-10)9(12)11-8/h4H,2-3H2,1H3
InChIKeyIFCIPWPCHFQKOW-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.38
Rot. Bonds1

About 6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile

6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile (PubChem CID 178185866) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile
PubChem CID178185866
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile
SMILESC=C1C=C(C#N)C(=O)N=C1CC
InChIInChI=1S/C9H8N2O/c1-3-8-6(2)4-7(5-10)9(12)11-8/h4H,2-3H2,1H3
InChIKeyIFCIPWPCHFQKOW-UHFFFAOYSA-N
XLogP1.38
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile (CID 178185866) is 6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile is C=C1C=C(C#N)C(=O)N=C1CC.
What is the InChIKey of 6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile?
The InChIKey is IFCIPWPCHFQKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-3-8-6(2)4-7(5-10)9(12)11-8/h4H,2-3H2,1H3.
What are the key properties of 6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile?
6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile has a molecular weight of 160.18 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 178185866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).