7,8-dimethyldibenzo-p-dioxin-2-carbonitrile

C15H11NO2 — CID 101091913

IUPAC7,8-dimethyldibenzo-p-dioxin-2-carbonitrile
SMILESCc1cc2c(cc1C)Oc1cc(C#N)ccc1O2
InChIInChI=1S/C15H11NO2/c1-9-5-13-14(6-10(9)2)18-15-7-11(8-16)3-4-12(15)17-13/h3-7H,1-2H3
InChIKeyKYYCJOZVJZLZSH-UHFFFAOYSA-N
MW237.26 g/mol
LogP4.07
Rot. Bonds

About 7,8-dimethyldibenzo-p-dioxin-2-carbonitrile

7,8-dimethyldibenzo-p-dioxin-2-carbonitrile (PubChem CID 101091913) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 7,8-dimethyldibenzo-p-dioxin-2-carbonitrile.

Molecular Properties

Compound Name7,8-dimethyldibenzo-p-dioxin-2-carbonitrile
PubChem CID101091913
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name7,8-dimethyldibenzo-p-dioxin-2-carbonitrile
SMILESCc1cc2c(cc1C)Oc1cc(C#N)ccc1O2
InChIInChI=1S/C15H11NO2/c1-9-5-13-14(6-10(9)2)18-15-7-11(8-16)3-4-12(15)17-13/h3-7H,1-2H3
InChIKeyKYYCJOZVJZLZSH-UHFFFAOYSA-N
XLogP4.07
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-methyldibenzo-p-dioxin-2-carbonitrile
CID 101091919
7,8-diphenyldibenzo-p-dioxin-2-carbonitrile
CID 101091915
benzo[b][1]benzoxepine-3,8-dicarbonitrile
CID 13158315
10-ethylphenoxazine-3,7-dicarbonitrile
CID 102137564
4-methylbenzene-1,3-dicarbonitrile
CID 10080505
3-(benzotriazol-2-yl)-4-methylbenzonitrile
CID 142154128
2-fluoro-1,3-benzodioxole-5-carbonitrile
CID 150465599
4-fluoro-3-methylbenzonitrile
CID 2779180
4-amino-3-methylbenzonitrile
CID 7010316
2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene-14,30-dicarbonitrile
CID 3956324
4-methyl-3-(2-methylhydrazinyl)benzonitrile
CID 143275745
3-amino-4-methylbenzonitrile;ethane
CID 145234513

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyldibenzo-p-dioxin-2-carbonitrile?
The IUPAC name of 7,8-dimethyldibenzo-p-dioxin-2-carbonitrile (CID 101091913) is 7,8-dimethyldibenzo-p-dioxin-2-carbonitrile.
What is the SMILES notation for 7,8-dimethyldibenzo-p-dioxin-2-carbonitrile?
The canonical SMILES for 7,8-dimethyldibenzo-p-dioxin-2-carbonitrile is Cc1cc2c(cc1C)Oc1cc(C#N)ccc1O2.
What is the InChIKey of 7,8-dimethyldibenzo-p-dioxin-2-carbonitrile?
The InChIKey is KYYCJOZVJZLZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-9-5-13-14(6-10(9)2)18-15-7-11(8-16)3-4-12(15)17-13/h3-7H,1-2H3.
What are the key properties of 7,8-dimethyldibenzo-p-dioxin-2-carbonitrile?
7,8-dimethyldibenzo-p-dioxin-2-carbonitrile has a molecular weight of 237.26 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyldibenzo-p-dioxin-2-carbonitrile is sourced from PubChem (CID 101091913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).