2-(cyclopenten-1-yl)-4,5-dihydroxybenzene-1,3-dicarbonitrile

C13H10N2O2 — CID 90016352

IUPAC2-(cyclopenten-1-yl)-4,5-dihydroxybenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(O)c(O)c(C#N)c1C1=CCCC1
InChIInChI=1S/C13H10N2O2/c14-6-9-5-11(16)13(17)10(7-15)12(9)8-3-1-2-4-8/h3,5,16-17H,1-2,4H2
InChIKeyJYGNUCVLCNSQGM-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.41
Rot. Bonds1

About 2-(cyclopenten-1-yl)-4,5-dihydroxybenzene-1,3-dicarbonitrile

2-(cyclopenten-1-yl)-4,5-dihydroxybenzene-1,3-dicarbonitrile (PubChem CID 90016352) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-4,5-dihydroxybenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-4,5-dihydroxybenzene-1,3-dicarbonitrile
PubChem CID90016352
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name2-(cyclopenten-1-yl)-4,5-dihydroxybenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(O)c(O)c(C#N)c1C1=CCCC1
InChIInChI=1S/C13H10N2O2/c14-6-9-5-11(16)13(17)10(7-15)12(9)8-3-1-2-4-8/h3,5,16-17H,1-2,4H2
InChIKeyJYGNUCVLCNSQGM-UHFFFAOYSA-N
XLogP2.41
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-4,5-dihydroxybenzene-1,3-dicarbonitrile?
The IUPAC name of 2-(cyclopenten-1-yl)-4,5-dihydroxybenzene-1,3-dicarbonitrile (CID 90016352) is 2-(cyclopenten-1-yl)-4,5-dihydroxybenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(cyclopenten-1-yl)-4,5-dihydroxybenzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(cyclopenten-1-yl)-4,5-dihydroxybenzene-1,3-dicarbonitrile is N#Cc1cc(O)c(O)c(C#N)c1C1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-4,5-dihydroxybenzene-1,3-dicarbonitrile?
The InChIKey is JYGNUCVLCNSQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c14-6-9-5-11(16)13(17)10(7-15)12(9)8-3-1-2-4-8/h3,5,16-17H,1-2,4H2.
What are the key properties of 2-(cyclopenten-1-yl)-4,5-dihydroxybenzene-1,3-dicarbonitrile?
2-(cyclopenten-1-yl)-4,5-dihydroxybenzene-1,3-dicarbonitrile has a molecular weight of 226.23 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-4,5-dihydroxybenzene-1,3-dicarbonitrile is sourced from PubChem (CID 90016352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).