2-(naphthalen-1-ylmethylidene)propanedinitrile

C14H8N2 — CID 18092

IUPAC2-(naphthalen-1-ylmethylidene)propanedinitrile
SMILESN#CC(C#N)=Cc1cccc2ccccc12
InChIInChI=1S/C14H8N2/c15-9-11(10-16)8-13-6-3-5-12-4-1-2-7-14(12)13/h1-8H
InChIKeyHNVAUTUJXUMGPH-UHFFFAOYSA-N
MW204.23 g/mol
LogP3.27
Rot. Bonds1

About 2-(naphthalen-1-ylmethylidene)propanedinitrile

2-(naphthalen-1-ylmethylidene)propanedinitrile (PubChem CID 18092) has the molecular formula C14H8N2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethylidene)propanedinitrile.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethylidene)propanedinitrile
PubChem CID18092
Molecular FormulaC14H8N2
Molecular Weight204.23 g/mol
Exact Mass204.07
IUPAC Name2-(naphthalen-1-ylmethylidene)propanedinitrile
SMILESN#CC(C#N)=Cc1cccc2ccccc12
InChIInChI=1S/C14H8N2/c15-9-11(10-16)8-13-6-3-5-12-4-1-2-7-14(12)13/h1-8H
InChIKeyHNVAUTUJXUMGPH-UHFFFAOYSA-N
XLogP3.27
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethylidene)propanedinitrile?
The IUPAC name of 2-(naphthalen-1-ylmethylidene)propanedinitrile (CID 18092) is 2-(naphthalen-1-ylmethylidene)propanedinitrile.
What is the SMILES notation for 2-(naphthalen-1-ylmethylidene)propanedinitrile?
The canonical SMILES for 2-(naphthalen-1-ylmethylidene)propanedinitrile is N#CC(C#N)=Cc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethylidene)propanedinitrile?
The InChIKey is HNVAUTUJXUMGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2/c15-9-11(10-16)8-13-6-3-5-12-4-1-2-7-14(12)13/h1-8H.
What are the key properties of 2-(naphthalen-1-ylmethylidene)propanedinitrile?
2-(naphthalen-1-ylmethylidene)propanedinitrile has a molecular weight of 204.23 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethylidene)propanedinitrile is sourced from PubChem (CID 18092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).