2-methylidene-3H-pyran-4,4-dicarbonitrile

C8H6N2O — CID 174514723

IUPAC2-methylidene-3H-pyran-4,4-dicarbonitrile
SMILESC=C1CC(C#N)(C#N)C=CO1
InChIInChI=1S/C8H6N2O/c1-7-4-8(5-9,6-10)2-3-11-7/h2-3H,1,4H2
InChIKeyKDNLQHHDLAAAQZ-UHFFFAOYSA-N
MW146.15 g/mol
LogP1.47
Rot. Bonds

About 2-methylidene-3H-pyran-4,4-dicarbonitrile

2-methylidene-3H-pyran-4,4-dicarbonitrile (PubChem CID 174514723) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-methylidene-3H-pyran-4,4-dicarbonitrile.

Molecular Properties

Compound Name2-methylidene-3H-pyran-4,4-dicarbonitrile
PubChem CID174514723
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name2-methylidene-3H-pyran-4,4-dicarbonitrile
SMILESC=C1CC(C#N)(C#N)C=CO1
InChIInChI=1S/C8H6N2O/c1-7-4-8(5-9,6-10)2-3-11-7/h2-3H,1,4H2
InChIKeyKDNLQHHDLAAAQZ-UHFFFAOYSA-N
XLogP1.47
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methylidene-3H-pyran-4,4-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3H-pyran-4,4-dicarbonitrile?
The IUPAC name of 2-methylidene-3H-pyran-4,4-dicarbonitrile (CID 174514723) is 2-methylidene-3H-pyran-4,4-dicarbonitrile.
What is the SMILES notation for 2-methylidene-3H-pyran-4,4-dicarbonitrile?
The canonical SMILES for 2-methylidene-3H-pyran-4,4-dicarbonitrile is C=C1CC(C#N)(C#N)C=CO1.
What is the InChIKey of 2-methylidene-3H-pyran-4,4-dicarbonitrile?
The InChIKey is KDNLQHHDLAAAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c1-7-4-8(5-9,6-10)2-3-11-7/h2-3H,1,4H2.
What are the key properties of 2-methylidene-3H-pyran-4,4-dicarbonitrile?
2-methylidene-3H-pyran-4,4-dicarbonitrile has a molecular weight of 146.15 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3H-pyran-4,4-dicarbonitrile is sourced from PubChem (CID 174514723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).