naphthalene-1,5-dicarbonitrile

C12H6N2 — CID 11458009

IUPACnaphthalene-1,5-dicarbonitrile
SMILESN#Cc1cccc2c(C#N)cccc12
InChIInChI=1S/C12H6N2/c13-7-9-3-1-5-11-10(8-14)4-2-6-12(9)11/h1-6H
InChIKeyWNDSQRGJJHSKCQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.58
Rot. Bonds

About naphthalene-1,5-dicarbonitrile

naphthalene-1,5-dicarbonitrile (PubChem CID 11458009) has the molecular formula C12H6N2 and a molecular weight of 178.19 g/mol. Its IUPAC name is naphthalene-1,5-dicarbonitrile.

Molecular Properties

Compound Namenaphthalene-1,5-dicarbonitrile
PubChem CID11458009
Molecular FormulaC12H6N2
Molecular Weight178.19 g/mol
Exact Mass178.05
IUPAC Namenaphthalene-1,5-dicarbonitrile
SMILESN#Cc1cccc2c(C#N)cccc12
InChIInChI=1S/C12H6N2/c13-7-9-3-1-5-11-10(8-14)4-2-6-12(9)11/h1-6H
InChIKeyWNDSQRGJJHSKCQ-UHFFFAOYSA-N
XLogP2.58
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylnaphthalene
CID 7002
Isophthalonitrile
CID 12276
Phthalonitrile
CID 7042
9-Cyanoanthracene
CID 14586
2-Cyano-4'-methylbiphenyl
CID 145512
1-Naphthalenecarbonitrile
CID 6846
1-Naphthaleneacetonitrile
CID 8596
(1,1'-Biphenyl)-4,4'-dicarbonitrile
CID 15321
9-Phenanthrenecarbonitrile
CID 17279
(1,1'-Biphenyl)-2-carbonitrile
CID 141162
2-Naphthalenecarbonitrile
CID 11944
1,5-Dimethylnaphthalene
CID 11306

Frequently Asked Questions

What is the IUPAC name of naphthalene-1,5-dicarbonitrile?
The IUPAC name of naphthalene-1,5-dicarbonitrile (CID 11458009) is naphthalene-1,5-dicarbonitrile.
What is the SMILES notation for naphthalene-1,5-dicarbonitrile?
The canonical SMILES for naphthalene-1,5-dicarbonitrile is N#Cc1cccc2c(C#N)cccc12.
What is the InChIKey of naphthalene-1,5-dicarbonitrile?
The InChIKey is WNDSQRGJJHSKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2/c13-7-9-3-1-5-11-10(8-14)4-2-6-12(9)11/h1-6H.
What are the key properties of naphthalene-1,5-dicarbonitrile?
naphthalene-1,5-dicarbonitrile has a molecular weight of 178.19 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,5-dicarbonitrile is sourced from PubChem (CID 11458009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).