2,3-dihydropyran-4,4-dicarbonitrile

C7H6N2O — CID 175927713

IUPAC2,3-dihydropyran-4,4-dicarbonitrile
SMILESN#CC1(C#N)C=COCC1
InChIInChI=1S/C7H6N2O/c8-5-7(6-9)1-3-10-4-2-7/h1,3H,2,4H2
InChIKeyRKBHEVLXJMHWQT-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.95
Rot. Bonds

About 2,3-dihydropyran-4,4-dicarbonitrile

2,3-dihydropyran-4,4-dicarbonitrile (PubChem CID 175927713) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 2,3-dihydropyran-4,4-dicarbonitrile.

Molecular Properties

Compound Name2,3-dihydropyran-4,4-dicarbonitrile
PubChem CID175927713
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name2,3-dihydropyran-4,4-dicarbonitrile
SMILESN#CC1(C#N)C=COCC1
InChIInChI=1S/C7H6N2O/c8-5-7(6-9)1-3-10-4-2-7/h1,3H,2,4H2
InChIKeyRKBHEVLXJMHWQT-UHFFFAOYSA-N
XLogP0.95
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3,4-dihydro-2H-pyran-4-carbonitrile
CID 167731866
Pyran-4,4-dicarbonitrile
CID 54281699
3,4-dihydro-2H-pyran-3-carbonitrile
CID 151726919
3,4-dihydro-2H-pyran-4-carbonitrile
CID 174476287
2-methylidene-3H-pyran-4,4-dicarbonitrile
CID 174514723

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyran-4,4-dicarbonitrile?
The IUPAC name of 2,3-dihydropyran-4,4-dicarbonitrile (CID 175927713) is 2,3-dihydropyran-4,4-dicarbonitrile.
What is the SMILES notation for 2,3-dihydropyran-4,4-dicarbonitrile?
The canonical SMILES for 2,3-dihydropyran-4,4-dicarbonitrile is N#CC1(C#N)C=COCC1.
What is the InChIKey of 2,3-dihydropyran-4,4-dicarbonitrile?
The InChIKey is RKBHEVLXJMHWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c8-5-7(6-9)1-3-10-4-2-7/h1,3H,2,4H2.
What are the key properties of 2,3-dihydropyran-4,4-dicarbonitrile?
2,3-dihydropyran-4,4-dicarbonitrile has a molecular weight of 134.14 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyran-4,4-dicarbonitrile is sourced from PubChem (CID 175927713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).