2-(7-methoxynaphthalen-1-yl)acetonitrile

C13H11NO — CID 11264068

IUPAC2-(7-methoxynaphthalen-1-yl)acetonitrile
SMILESCOc1ccc2cccc(CC#N)c2c1
InChIInChI=1S/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3
InChIKeyPYJMGUQHJINLLD-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.91
Rot. Bonds2

About 2-(7-methoxynaphthalen-1-yl)acetonitrile

2-(7-methoxynaphthalen-1-yl)acetonitrile (PubChem CID 11264068) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(7-methoxynaphthalen-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-methoxynaphthalen-1-yl)acetonitrile
PubChem CID11264068
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name2-(7-methoxynaphthalen-1-yl)acetonitrile
SMILESCOc1ccc2cccc(CC#N)c2c1
InChIInChI=1S/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3
InChIKeyPYJMGUQHJINLLD-UHFFFAOYSA-N
XLogP2.91
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxynaphthalen-1-yl)acetonitrile?
The IUPAC name of 2-(7-methoxynaphthalen-1-yl)acetonitrile (CID 11264068) is 2-(7-methoxynaphthalen-1-yl)acetonitrile.
What is the SMILES notation for 2-(7-methoxynaphthalen-1-yl)acetonitrile?
The canonical SMILES for 2-(7-methoxynaphthalen-1-yl)acetonitrile is COc1ccc2cccc(CC#N)c2c1.
What is the InChIKey of 2-(7-methoxynaphthalen-1-yl)acetonitrile?
The InChIKey is PYJMGUQHJINLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3.
What are the key properties of 2-(7-methoxynaphthalen-1-yl)acetonitrile?
2-(7-methoxynaphthalen-1-yl)acetonitrile has a molecular weight of 197.24 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxynaphthalen-1-yl)acetonitrile is sourced from PubChem (CID 11264068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).