2,3-dihydroxycyclohexa-1,5-diene-1,4-dicarbonitrile

C8H6N2O2 — CID 18359102

IUPAC2,3-dihydroxycyclohexa-1,5-diene-1,4-dicarbonitrile
SMILESN#CC1=C(O)C(O)C(C#N)C=C1
InChIInChI=1S/C8H6N2O2/c9-3-5-1-2-6(4-10)8(12)7(5)11/h1-2,5,7,11-12H
InChIKeyBIEVWANEOIGJOU-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.39
Rot. Bonds

About 2,3-dihydroxycyclohexa-1,5-diene-1,4-dicarbonitrile

2,3-dihydroxycyclohexa-1,5-diene-1,4-dicarbonitrile (PubChem CID 18359102) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 2,3-dihydroxycyclohexa-1,5-diene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,3-dihydroxycyclohexa-1,5-diene-1,4-dicarbonitrile
PubChem CID18359102
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name2,3-dihydroxycyclohexa-1,5-diene-1,4-dicarbonitrile
SMILESN#CC1=C(O)C(O)C(C#N)C=C1
InChIInChI=1S/C8H6N2O2/c9-3-5-1-2-6(4-10)8(12)7(5)11/h1-2,5,7,11-12H
InChIKeyBIEVWANEOIGJOU-UHFFFAOYSA-N
XLogP0.39
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxycyclohexa-1,5-diene-1,4-dicarbonitrile?
The IUPAC name of 2,3-dihydroxycyclohexa-1,5-diene-1,4-dicarbonitrile (CID 18359102) is 2,3-dihydroxycyclohexa-1,5-diene-1,4-dicarbonitrile.
What is the SMILES notation for 2,3-dihydroxycyclohexa-1,5-diene-1,4-dicarbonitrile?
The canonical SMILES for 2,3-dihydroxycyclohexa-1,5-diene-1,4-dicarbonitrile is N#CC1=C(O)C(O)C(C#N)C=C1.
What is the InChIKey of 2,3-dihydroxycyclohexa-1,5-diene-1,4-dicarbonitrile?
The InChIKey is BIEVWANEOIGJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c9-3-5-1-2-6(4-10)8(12)7(5)11/h1-2,5,7,11-12H.
What are the key properties of 2,3-dihydroxycyclohexa-1,5-diene-1,4-dicarbonitrile?
2,3-dihydroxycyclohexa-1,5-diene-1,4-dicarbonitrile has a molecular weight of 162.15 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxycyclohexa-1,5-diene-1,4-dicarbonitrile is sourced from PubChem (CID 18359102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).