8,9-dihydrobenzo[g][1,3]benzodioxole-6-carbonitrile

C12H9NO2 — CID 10655602

IUPAC8,9-dihydrobenzo[g][1,3]benzodioxole-6-carbonitrile
SMILESN#CC1=CCCc2c1ccc1c2OCO1
InChIInChI=1S/C12H9NO2/c13-6-8-2-1-3-10-9(8)4-5-11-12(10)15-7-14-11/h2,4-5H,1,3,7H2
InChIKeyVSLDXLMCJNRCDL-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.27
Rot. Bonds

About 8,9-dihydrobenzo[g][1,3]benzodioxole-6-carbonitrile

8,9-dihydrobenzo[g][1,3]benzodioxole-6-carbonitrile (PubChem CID 10655602) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 8,9-dihydrobenzo[g][1,3]benzodioxole-6-carbonitrile.

Molecular Properties

Compound Name8,9-dihydrobenzo[g][1,3]benzodioxole-6-carbonitrile
PubChem CID10655602
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name8,9-dihydrobenzo[g][1,3]benzodioxole-6-carbonitrile
SMILESN#CC1=CCCc2c1ccc1c2OCO1
InChIInChI=1S/C12H9NO2/c13-6-8-2-1-3-10-9(8)4-5-11-12(10)15-7-14-11/h2,4-5H,1,3,7H2
InChIKeyVSLDXLMCJNRCDL-UHFFFAOYSA-N
XLogP2.27
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride
CID 13340014
4-chloro-1,3-benzodioxole-5-carbonitrile
CID 117278958
4-methylsulfanyl-1,3-benzodioxole-5-carbonitrile
CID 117283483
5-bromo-1,3-benzodioxole-4-carbonyl chloride
CID 23643774
6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile
CID 82047728
4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol
CID 58219553
2-(4-methyl-1,3-benzodioxol-5-yl)acetonitrile
CID 84766833
6-methylcyclobuta[g][1,3]benzodioxole
CID 19761193
(5-hydroxy-1,3-benzodioxol-4-yl)boronic acid
CID 130034822
2-[(4-nitro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile
CID 11436461
6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one
CID 23461697
(7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
CID 143917287

Frequently Asked Questions

What is the IUPAC name of 8,9-dihydrobenzo[g][1,3]benzodioxole-6-carbonitrile?
The IUPAC name of 8,9-dihydrobenzo[g][1,3]benzodioxole-6-carbonitrile (CID 10655602) is 8,9-dihydrobenzo[g][1,3]benzodioxole-6-carbonitrile.
What is the SMILES notation for 8,9-dihydrobenzo[g][1,3]benzodioxole-6-carbonitrile?
The canonical SMILES for 8,9-dihydrobenzo[g][1,3]benzodioxole-6-carbonitrile is N#CC1=CCCc2c1ccc1c2OCO1.
What is the InChIKey of 8,9-dihydrobenzo[g][1,3]benzodioxole-6-carbonitrile?
The InChIKey is VSLDXLMCJNRCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c13-6-8-2-1-3-10-9(8)4-5-11-12(10)15-7-14-11/h2,4-5H,1,3,7H2.
What are the key properties of 8,9-dihydrobenzo[g][1,3]benzodioxole-6-carbonitrile?
8,9-dihydrobenzo[g][1,3]benzodioxole-6-carbonitrile has a molecular weight of 199.21 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydrobenzo[g][1,3]benzodioxole-6-carbonitrile is sourced from PubChem (CID 10655602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).