2-naphthalen-1-ylpropanedinitrile

C13H8N2 — CID 10910363

IUPAC2-naphthalen-1-ylpropanedinitrile
SMILESN#CC(C#N)c1cccc2ccccc12
InChIInChI=1S/C13H8N2/c14-8-11(9-15)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H
InChIKeyJSYNLGSYUCZAGV-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.97
Rot. Bonds1

About 2-naphthalen-1-ylpropanedinitrile

2-naphthalen-1-ylpropanedinitrile (PubChem CID 10910363) has the molecular formula C13H8N2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-naphthalen-1-ylpropanedinitrile.

Molecular Properties

Compound Name2-naphthalen-1-ylpropanedinitrile
PubChem CID10910363
Molecular FormulaC13H8N2
Molecular Weight192.22 g/mol
Exact Mass192.07
IUPAC Name2-naphthalen-1-ylpropanedinitrile
SMILESN#CC(C#N)c1cccc2ccccc12
InChIInChI=1S/C13H8N2/c14-8-11(9-15)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H
InChIKeyJSYNLGSYUCZAGV-UHFFFAOYSA-N
XLogP2.97
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylnaphthalene
CID 7002
Acenaphthylene
CID 9161
Diphenylacetonitrile
CID 6837
2-Isopropylnaphthalene
CID 16238
9-Cyanoanthracene
CID 14586
1-Naphthalenecarbonitrile
CID 6846
1-Naphthaleneacetonitrile
CID 8596
1-(1-Methylethyl)naphthalene
CID 22535
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 2-naphthalen-1-ylpropanedinitrile?
The IUPAC name of 2-naphthalen-1-ylpropanedinitrile (CID 10910363) is 2-naphthalen-1-ylpropanedinitrile.
What is the SMILES notation for 2-naphthalen-1-ylpropanedinitrile?
The canonical SMILES for 2-naphthalen-1-ylpropanedinitrile is N#CC(C#N)c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylpropanedinitrile?
The InChIKey is JSYNLGSYUCZAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2/c14-8-11(9-15)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H.
What are the key properties of 2-naphthalen-1-ylpropanedinitrile?
2-naphthalen-1-ylpropanedinitrile has a molecular weight of 192.22 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylpropanedinitrile is sourced from PubChem (CID 10910363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).