9-methyldibenzo-p-dioxin-2-carbonitrile

C14H9NO2 — CID 101091919

IUPAC9-methyldibenzo-p-dioxin-2-carbonitrile
SMILESCc1cccc2c1Oc1cc(C#N)ccc1O2
InChIInChI=1S/C14H9NO2/c1-9-3-2-4-12-14(9)17-13-7-10(8-15)5-6-11(13)16-12/h2-7H,1H3
InChIKeyIZFYDKCBLZJKDD-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.76
Rot. Bonds

About 9-methyldibenzo-p-dioxin-2-carbonitrile

9-methyldibenzo-p-dioxin-2-carbonitrile (PubChem CID 101091919) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 9-methyldibenzo-p-dioxin-2-carbonitrile.

Molecular Properties

Compound Name9-methyldibenzo-p-dioxin-2-carbonitrile
PubChem CID101091919
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name9-methyldibenzo-p-dioxin-2-carbonitrile
SMILESCc1cccc2c1Oc1cc(C#N)ccc1O2
InChIInChI=1S/C14H9NO2/c1-9-3-2-4-12-14(9)17-13-7-10(8-15)5-6-11(13)16-12/h2-7H,1H3
InChIKeyIZFYDKCBLZJKDD-UHFFFAOYSA-N
XLogP3.76
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-dimethyldibenzo-p-dioxin-2-carbonitrile
CID 101091913
7,8-diphenyldibenzo-p-dioxin-2-carbonitrile
CID 101091915
benzo[b][1]benzoxepine-3,8-dicarbonitrile
CID 13158315
3-(benzotriazol-2-yl)-4-methylbenzonitrile
CID 142154128
3-[(2,6-dimethylanilino)methyl]-4-fluorobenzonitrile
CID 62331907
(2S)-3-(2,6-dimethylphenyl)-1,2-dimethyl-2H-benzimidazole-5-carbonitrile
CID 122433488
10-ethylphenoxazine-3,7-dicarbonitrile
CID 102137564
4-cyano-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylbenzenesulfonamide
CID 167937246
4-methylbenzene-1,3-dicarbonitrile
CID 10080505
3-(2,5-dihydropyrrol-1-yl)-4-methylbenzonitrile
CID 79686863
2-fluoro-1,3-benzodioxole-5-carbonitrile
CID 150465599
4-fluoro-3-methylbenzonitrile
CID 2779180

Frequently Asked Questions

What is the IUPAC name of 9-methyldibenzo-p-dioxin-2-carbonitrile?
The IUPAC name of 9-methyldibenzo-p-dioxin-2-carbonitrile (CID 101091919) is 9-methyldibenzo-p-dioxin-2-carbonitrile.
What is the SMILES notation for 9-methyldibenzo-p-dioxin-2-carbonitrile?
The canonical SMILES for 9-methyldibenzo-p-dioxin-2-carbonitrile is Cc1cccc2c1Oc1cc(C#N)ccc1O2.
What is the InChIKey of 9-methyldibenzo-p-dioxin-2-carbonitrile?
The InChIKey is IZFYDKCBLZJKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c1-9-3-2-4-12-14(9)17-13-7-10(8-15)5-6-11(13)16-12/h2-7H,1H3.
What are the key properties of 9-methyldibenzo-p-dioxin-2-carbonitrile?
9-methyldibenzo-p-dioxin-2-carbonitrile has a molecular weight of 223.23 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyldibenzo-p-dioxin-2-carbonitrile is sourced from PubChem (CID 101091919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).