2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile

C8H8N2O — CID 130145611

IUPAC2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile
SMILESC=CC1C(O)CC1(C#N)C#N
InChIInChI=1S/C8H8N2O/c1-2-6-7(11)3-8(6,4-9)5-10/h2,6-7,11H,1,3H2
InChIKeyCWDBNOYBPLPAOT-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.59
Rot. Bonds1

About 2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile

2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile (PubChem CID 130145611) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile.

Molecular Properties

Compound Name2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile
PubChem CID130145611
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile
SMILESC=CC1C(O)CC1(C#N)C#N
InChIInChI=1S/C8H8N2O/c1-2-6-7(11)3-8(6,4-9)5-10/h2,6-7,11H,1,3H2
InChIKeyCWDBNOYBPLPAOT-UHFFFAOYSA-N
XLogP0.59
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile?
The IUPAC name of 2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile (CID 130145611) is 2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile.
What is the SMILES notation for 2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile?
The canonical SMILES for 2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile is C=CC1C(O)CC1(C#N)C#N.
What is the InChIKey of 2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile?
The InChIKey is CWDBNOYBPLPAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-6-7(11)3-8(6,4-9)5-10/h2,6-7,11H,1,3H2.
What are the key properties of 2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile?
2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile has a molecular weight of 148.16 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile is sourced from PubChem (CID 130145611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).