2-(6-methoxynaphthalen-2-yl)propanenitrile

C14H13NO — CID 607344

IUPAC2-(6-methoxynaphthalen-2-yl)propanenitrile
SMILESCOc1ccc2cc(C(C)C#N)ccc2c1
InChIInChI=1S/C14H13NO/c1-10(9-15)11-3-4-13-8-14(16-2)6-5-12(13)7-11/h3-8,10H,1-2H3
InChIKeyQAILMFURFUYAJA-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.48
Rot. Bonds2

About 2-(6-methoxynaphthalen-2-yl)propanenitrile

2-(6-methoxynaphthalen-2-yl)propanenitrile (PubChem CID 607344) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)propanenitrile.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)propanenitrile
PubChem CID607344
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name2-(6-methoxynaphthalen-2-yl)propanenitrile
SMILESCOc1ccc2cc(C(C)C#N)ccc2c1
InChIInChI=1S/C14H13NO/c1-10(9-15)11-3-4-13-8-14(16-2)6-5-12(13)7-11/h3-8,10H,1-2H3
InChIKeyQAILMFURFUYAJA-UHFFFAOYSA-N
XLogP3.48
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)propanenitrile?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)propanenitrile (CID 607344) is 2-(6-methoxynaphthalen-2-yl)propanenitrile.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)propanenitrile?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)propanenitrile is COc1ccc2cc(C(C)C#N)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)propanenitrile?
The InChIKey is QAILMFURFUYAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10(9-15)11-3-4-13-8-14(16-2)6-5-12(13)7-11/h3-8,10H,1-2H3.
What are the key properties of 2-(6-methoxynaphthalen-2-yl)propanenitrile?
2-(6-methoxynaphthalen-2-yl)propanenitrile has a molecular weight of 211.26 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)propanenitrile is sourced from PubChem (CID 607344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).