2-(1,6-dimethyl-2,3-dihydroinden-1-yl)propanedinitrile

C14H14N2 — CID 102042721

IUPAC2-(1,6-dimethyl-2,3-dihydroinden-1-yl)propanedinitrile
SMILESCc1ccc2c(c1)C(C)(C(C#N)C#N)CC2
InChIInChI=1S/C14H14N2/c1-10-3-4-11-5-6-14(2,13(11)7-10)12(8-15)9-16/h3-4,7,12H,5-6H2,1-2H3
InChIKeyJRMPDUSIWRFBBC-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.86
Rot. Bonds1

About 2-(1,6-dimethyl-2,3-dihydroinden-1-yl)propanedinitrile

2-(1,6-dimethyl-2,3-dihydroinden-1-yl)propanedinitrile (PubChem CID 102042721) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(1,6-dimethyl-2,3-dihydroinden-1-yl)propanedinitrile.

Molecular Properties

Compound Name2-(1,6-dimethyl-2,3-dihydroinden-1-yl)propanedinitrile
PubChem CID102042721
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-(1,6-dimethyl-2,3-dihydroinden-1-yl)propanedinitrile
SMILESCc1ccc2c(c1)C(C)(C(C#N)C#N)CC2
InChIInChI=1S/C14H14N2/c1-10-3-4-11-5-6-14(2,13(11)7-10)12(8-15)9-16/h3-4,7,12H,5-6H2,1-2H3
InChIKeyJRMPDUSIWRFBBC-UHFFFAOYSA-N
XLogP2.86
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-3-propan-2-yl-1,2-dihydroindene
CID 169145342
3,3-difluoro-5-methyl-1,2-dihydroindene
CID 84717285
3-butyl-3,5-dimethyl-1,2-dihydroindene
CID 59994805
2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile
CID 118262220
1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 43119027
7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one
CID 115010920
1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol
CID 115010757
1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842259
methyl (5-methyl-3,3'-spirobi[1,2-dihydroindene]-5'-yl) carbonate
CID 58999397
1-[(2,4-dimethylphenyl)-hydroxymethyl]-2,3-dihydroindene-1-carbonitrile
CID 79125115
1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile
CID 28937677
(1R)-4a,6-dimethylspiro[2,3,4,9,10,10a-hexahydrophenanthrene-1,3'-aziridine]-2'-one
CID 153362630

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dimethyl-2,3-dihydroinden-1-yl)propanedinitrile?
The IUPAC name of 2-(1,6-dimethyl-2,3-dihydroinden-1-yl)propanedinitrile (CID 102042721) is 2-(1,6-dimethyl-2,3-dihydroinden-1-yl)propanedinitrile.
What is the SMILES notation for 2-(1,6-dimethyl-2,3-dihydroinden-1-yl)propanedinitrile?
The canonical SMILES for 2-(1,6-dimethyl-2,3-dihydroinden-1-yl)propanedinitrile is Cc1ccc2c(c1)C(C)(C(C#N)C#N)CC2.
What is the InChIKey of 2-(1,6-dimethyl-2,3-dihydroinden-1-yl)propanedinitrile?
The InChIKey is JRMPDUSIWRFBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-10-3-4-11-5-6-14(2,13(11)7-10)12(8-15)9-16/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 2-(1,6-dimethyl-2,3-dihydroinden-1-yl)propanedinitrile?
2-(1,6-dimethyl-2,3-dihydroinden-1-yl)propanedinitrile has a molecular weight of 210.28 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dimethyl-2,3-dihydroinden-1-yl)propanedinitrile is sourced from PubChem (CID 102042721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).