2-ethoxybenzene-1,3-dicarbonitrile

C10H8N2O — CID 23083446

IUPAC2-ethoxybenzene-1,3-dicarbonitrile
SMILESCCOc1c(C#N)cccc1C#N
InChIInChI=1S/C10H8N2O/c1-2-13-10-8(6-11)4-3-5-9(10)7-12/h3-5H,2H2,1H3
InChIKeyVEIOMICTZIYZQC-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.83
Rot. Bonds2

About 2-ethoxybenzene-1,3-dicarbonitrile

2-ethoxybenzene-1,3-dicarbonitrile (PubChem CID 23083446) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-ethoxybenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-ethoxybenzene-1,3-dicarbonitrile
PubChem CID23083446
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-ethoxybenzene-1,3-dicarbonitrile
SMILESCCOc1c(C#N)cccc1C#N
InChIInChI=1S/C10H8N2O/c1-2-13-10-8(6-11)4-3-5-9(10)7-12/h3-5H,2H2,1H3
InChIKeyVEIOMICTZIYZQC-UHFFFAOYSA-N
XLogP1.83
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-fluorobenzonitrile
CID 90422615
3-ethoxy-2-sulfanylbenzonitrile
CID 91874372
3-ethoxy-2-prop-2-ynoxybenzonitrile
CID 100585615
2-amino-3-ethoxybenzonitrile
CID 82014474
2-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-3-hydroxybenzonitrile
CID 11118724
2-(1-chloroethyl)-3-ethoxybenzonitrile
CID 174732760
3,4-diethoxy-2-fluorobenzonitrile
CID 23093717
2,6-diethoxybenzonitrile
CID 3018118
2-(1-ethoxyisoquinolin-4-yl)benzonitrile
CID 175518146
2-(3-ethoxyphenoxy)benzonitrile
CID 62336711
2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile
CID 43366521
naphthalene-1-carbonitrile;sulfane
CID 175607355

Frequently Asked Questions

What is the IUPAC name of 2-ethoxybenzene-1,3-dicarbonitrile?
The IUPAC name of 2-ethoxybenzene-1,3-dicarbonitrile (CID 23083446) is 2-ethoxybenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-ethoxybenzene-1,3-dicarbonitrile?
The canonical SMILES for 2-ethoxybenzene-1,3-dicarbonitrile is CCOc1c(C#N)cccc1C#N.
What is the InChIKey of 2-ethoxybenzene-1,3-dicarbonitrile?
The InChIKey is VEIOMICTZIYZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-2-13-10-8(6-11)4-3-5-9(10)7-12/h3-5H,2H2,1H3.
What are the key properties of 2-ethoxybenzene-1,3-dicarbonitrile?
2-ethoxybenzene-1,3-dicarbonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybenzene-1,3-dicarbonitrile is sourced from PubChem (CID 23083446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).