2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile

C15H10N2O2 — CID 135012024

IUPAC2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile
SMILESCC1(C)Oc2cc3cc(C#N)c(C#N)cc3cc2O1
InChIInChI=1S/C15H10N2O2/c1-15(2)18-13-5-9-3-11(7-16)12(8-17)4-10(9)6-14(13)19-15/h3-6H,1-2H3
InChIKeyBNGVTWPNJDPMOL-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.09
Rot. Bonds

About 2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile

2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile (PubChem CID 135012024) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile.

Molecular Properties

Compound Name2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile
PubChem CID135012024
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile
SMILESCC1(C)Oc2cc3cc(C#N)c(C#N)cc3cc2O1
InChIInChI=1S/C15H10N2O2/c1-15(2)18-13-5-9-3-11(7-16)12(8-17)4-10(9)6-14(13)19-15/h3-6H,1-2H3
InChIKeyBNGVTWPNJDPMOL-UHFFFAOYSA-N
XLogP3.09
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalene-2,3,6,7-tetracarbonitrile
CID 66972136
benzene-1,2,4,5-tetracarbonitrile
CID 12838
6,7-bis(sulfanyl)anthracene-2,3-dicarbonitrile
CID 89212287
naphthalene-2,3-dicarbonitrile
CID 601270
2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole
CID 59480293
6-bromonaphthalene-2,3-dicarbonitrile
CID 784710
13,14-bis(sulfanyl)-15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-6,7-dicarbonitrile
CID 89212288
6-bromo-2,2,3,3-tetrafluoro-1,4-benzodioxine-7-carbonitrile
CID 117496554
7-fluoro-2,2-dimethyl-3-oxo-4H-chromene-6-carbonitrile
CID 58376538
5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile
CID 81136671
2-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)acetonitrile
CID 84789367
2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-5-iodobenzonitrile
CID 168537310

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile?
The IUPAC name of 2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile (CID 135012024) is 2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile.
What is the SMILES notation for 2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile?
The canonical SMILES for 2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile is CC1(C)Oc2cc3cc(C#N)c(C#N)cc3cc2O1.
What is the InChIKey of 2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile?
The InChIKey is BNGVTWPNJDPMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c1-15(2)18-13-5-9-3-11(7-16)12(8-17)4-10(9)6-14(13)19-15/h3-6H,1-2H3.
What are the key properties of 2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile?
2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile has a molecular weight of 250.26 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile is sourced from PubChem (CID 135012024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).