4-ethenoxybenzene-1,2-dicarbonitrile

C10H6N2O — CID 45091107

IUPAC4-ethenoxybenzene-1,2-dicarbonitrile
SMILESC=COc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C10H6N2O/c1-2-13-10-4-3-8(6-11)9(5-10)7-12/h2-5H,1H2
InChIKeyFVSXHOQQAVWFLP-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.95
Rot. Bonds2

About 4-ethenoxybenzene-1,2-dicarbonitrile

4-ethenoxybenzene-1,2-dicarbonitrile (PubChem CID 45091107) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-ethenoxybenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-ethenoxybenzene-1,2-dicarbonitrile
PubChem CID45091107
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC Name4-ethenoxybenzene-1,2-dicarbonitrile
SMILESC=COc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C10H6N2O/c1-2-13-10-4-3-8(6-11)9(5-10)7-12/h2-5H,1H2
InChIKeyFVSXHOQQAVWFLP-UHFFFAOYSA-N
XLogP1.95
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-ethenoxybenzonitrile
CID 130564228
4-[3,5-bis(3,4-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 71363047
3-ethenoxybenzonitrile
CID 11788364
2-ethynyl-5-methoxybenzonitrile
CID 166529929
4-(3,5-diphenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667751
1,4-bis(ethenoxy)-2-ethenylbenzene
CID 174997076
4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile
CID 746627
4-[4-[4-(3,4-dicyanophenoxy)benzoyl]phenoxy]benzene-1,2-dicarbonitrile
CID 2170646
(3-cyano-4-fluorophenyl) formate
CID 174507677
(3-cyano-4-hydroxyphenyl) formate
CID 174924590
4-[4-[bis(4-aminophenyl)methyl]phenoxy]benzene-1,2-dicarbonitrile
CID 71379490
4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile
CID 139067374

Frequently Asked Questions

What is the IUPAC name of 4-ethenoxybenzene-1,2-dicarbonitrile?
The IUPAC name of 4-ethenoxybenzene-1,2-dicarbonitrile (CID 45091107) is 4-ethenoxybenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-ethenoxybenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-ethenoxybenzene-1,2-dicarbonitrile is C=COc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 4-ethenoxybenzene-1,2-dicarbonitrile?
The InChIKey is FVSXHOQQAVWFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c1-2-13-10-4-3-8(6-11)9(5-10)7-12/h2-5H,1H2.
What are the key properties of 4-ethenoxybenzene-1,2-dicarbonitrile?
4-ethenoxybenzene-1,2-dicarbonitrile has a molecular weight of 170.17 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxybenzene-1,2-dicarbonitrile is sourced from PubChem (CID 45091107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).