2-(naphthalen-2-ylmethyl)-3-phenyliminopropanenitrile

C20H16N2 — CID 54295242

IUPAC2-(naphthalen-2-ylmethyl)-3-phenyliminopropanenitrile
SMILESN#CC(/C=N/c1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C20H16N2/c21-14-17(15-22-20-8-2-1-3-9-20)12-16-10-11-18-6-4-5-7-19(18)13-16/h1-11,13,15,17H,12H2/b22-15+
InChIKeySAIQZQBNWLWOCQ-PXLXIMEGSA-N
MW284.36 g/mol
LogP4.92
Rot. Bonds4

About 2-(naphthalen-2-ylmethyl)-3-phenyliminopropanenitrile

2-(naphthalen-2-ylmethyl)-3-phenyliminopropanenitrile (PubChem CID 54295242) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethyl)-3-phenyliminopropanenitrile.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethyl)-3-phenyliminopropanenitrile
PubChem CID54295242
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name2-(naphthalen-2-ylmethyl)-3-phenyliminopropanenitrile
SMILESN#CC(/C=N/c1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C20H16N2/c21-14-17(15-22-20-8-2-1-3-9-20)12-16-10-11-18-6-4-5-7-19(18)13-16/h1-11,13,15,17H,12H2/b22-15+
InChIKeySAIQZQBNWLWOCQ-PXLXIMEGSA-N
XLogP4.92
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethyl)-3-phenyliminopropanenitrile?
The IUPAC name of 2-(naphthalen-2-ylmethyl)-3-phenyliminopropanenitrile (CID 54295242) is 2-(naphthalen-2-ylmethyl)-3-phenyliminopropanenitrile.
What is the SMILES notation for 2-(naphthalen-2-ylmethyl)-3-phenyliminopropanenitrile?
The canonical SMILES for 2-(naphthalen-2-ylmethyl)-3-phenyliminopropanenitrile is N#CC(/C=N/c1ccccc1)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylmethyl)-3-phenyliminopropanenitrile?
The InChIKey is SAIQZQBNWLWOCQ-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H16N2/c21-14-17(15-22-20-8-2-1-3-9-20)12-16-10-11-18-6-4-5-7-19(18)13-16/h1-11,13,15,17H,12H2/b22-15+.
What are the key properties of 2-(naphthalen-2-ylmethyl)-3-phenyliminopropanenitrile?
2-(naphthalen-2-ylmethyl)-3-phenyliminopropanenitrile has a molecular weight of 284.36 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethyl)-3-phenyliminopropanenitrile is sourced from PubChem (CID 54295242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).