4-propoxybenzene-1,2-dicarbonitrile

C11H10N2O — CID 588896

IUPAC4-propoxybenzene-1,2-dicarbonitrile
SMILESCCCOc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C11H10N2O/c1-2-5-14-11-4-3-9(7-12)10(6-11)8-13/h3-4,6H,2,5H2,1H3
InChIKeyRDLZRCSOLOTEPK-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.22
Rot. Bonds3

About 4-propoxybenzene-1,2-dicarbonitrile

4-propoxybenzene-1,2-dicarbonitrile (PubChem CID 588896) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-propoxybenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-propoxybenzene-1,2-dicarbonitrile
PubChem CID588896
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-propoxybenzene-1,2-dicarbonitrile
SMILESCCCOc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C11H10N2O/c1-2-5-14-11-4-3-9(7-12)10(6-11)8-13/h3-4,6H,2,5H2,1H3
InChIKeyRDLZRCSOLOTEPK-UHFFFAOYSA-N
XLogP2.22
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-propoxybenzene-1,2-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tyrphostin A1
CID 2063
4-Benzyloxybenzonitrile
CID 561371
4-Methoxybenzonitrile
CID 70129
AN-2898
CID 24806574
Benzeneacetonitrile, 4-methoxy-
CID 66031
4'-(Pentyloxy)(1,1'-biphenyl)-4-carbonitrile
CID 104171
(1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-
CID 104172
(1,1'-Biphenyl)-4-carbonitrile, 4'-propoxy-
CID 104291
(1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-
CID 104292
[1,1'-Biphenyl]-4-carbonitrile, 4'-methoxy-
CID 93892
[1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-
CID 104173
(1,1'-Biphenyl)-4-carbonitrile, 4'-(hexyloxy)-
CID 162465

Frequently Asked Questions

What is the IUPAC name of 4-propoxybenzene-1,2-dicarbonitrile?
The IUPAC name of 4-propoxybenzene-1,2-dicarbonitrile (CID 588896) is 4-propoxybenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-propoxybenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-propoxybenzene-1,2-dicarbonitrile is CCCOc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 4-propoxybenzene-1,2-dicarbonitrile?
The InChIKey is RDLZRCSOLOTEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-2-5-14-11-4-3-9(7-12)10(6-11)8-13/h3-4,6H,2,5H2,1H3.
What are the key properties of 4-propoxybenzene-1,2-dicarbonitrile?
4-propoxybenzene-1,2-dicarbonitrile has a molecular weight of 186.21 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxybenzene-1,2-dicarbonitrile is sourced from PubChem (CID 588896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).