2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile

C17H12N2 — CID 142090428

IUPAC2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile
SMILESC=Cc1c(C=C)c(C#N)c2cc(C)ccc2c1C#N
InChIInChI=1S/C17H12N2/c1-4-12-13(5-2)17(10-19)15-8-11(3)6-7-14(15)16(12)9-18/h4-8H,1-2H2,3H3
InChIKeyHINRBHZYONGRAT-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.18
Rot. Bonds2

About 2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile

2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile (PubChem CID 142090428) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile
PubChem CID142090428
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile
SMILESC=Cc1c(C=C)c(C#N)c2cc(C)ccc2c1C#N
InChIInChI=1S/C17H12N2/c1-4-12-13(5-2)17(10-19)15-8-11(3)6-7-14(15)16(12)9-18/h4-8H,1-2H2,3H3
InChIKeyHINRBHZYONGRAT-UHFFFAOYSA-N
XLogP4.18
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,6-trimethylnaphthalene-1,4-dicarbonitrile
CID 101223785
2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile
CID 145213372
9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene
CID 167485160
6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile
CID 142316299
2,6-diiodoanthracene-9,10-dicarbonitrile
CID 132838305
2,5-dimethyl-1-benzothiophene-3-carbonitrile
CID 84739601
2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile
CID 89372299
2-[2-(4,10-dimethylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylanthracene-9,10-dicarbonitrile
CID 88902280
3-ethenyl-1,2,5-trimethylindole
CID 89379856
ethane;1-ethenyl-2-ethyl-7-methylnaphthalene
CID 142614708
1,2-bis(ethenyl)-6-methylnaphthalene;ethane;propane
CID 145447193
2-chloro-1,6-dimethylindole-3-carbonitrile
CID 82269620

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile?
The IUPAC name of 2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile (CID 142090428) is 2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile.
What is the SMILES notation for 2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile?
The canonical SMILES for 2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile is C=Cc1c(C=C)c(C#N)c2cc(C)ccc2c1C#N.
What is the InChIKey of 2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile?
The InChIKey is HINRBHZYONGRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-4-12-13(5-2)17(10-19)15-8-11(3)6-7-14(15)16(12)9-18/h4-8H,1-2H2,3H3.
What are the key properties of 2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile?
2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile has a molecular weight of 244.30 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile is sourced from PubChem (CID 142090428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).