7-ethylnaphthalene-2-carbonitrile

C13H11N — CID 134555002

IUPAC7-ethylnaphthalene-2-carbonitrile
SMILESCCc1ccc2ccc(C#N)cc2c1
InChIInChI=1S/C13H11N/c1-2-10-3-5-12-6-4-11(9-14)8-13(12)7-10/h3-8H,2H2,1H3
InChIKeyYXAYSBZKORCUJX-UHFFFAOYSA-N
MW181.24 g/mol
LogP3.27
Rot. Bonds1

About 7-ethylnaphthalene-2-carbonitrile

7-ethylnaphthalene-2-carbonitrile (PubChem CID 134555002) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 7-ethylnaphthalene-2-carbonitrile.

Molecular Properties

Compound Name7-ethylnaphthalene-2-carbonitrile
PubChem CID134555002
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name7-ethylnaphthalene-2-carbonitrile
SMILESCCc1ccc2ccc(C#N)cc2c1
InChIInChI=1S/C13H11N/c1-2-10-3-5-12-6-4-11(9-14)8-13(12)7-10/h3-8H,2H2,1H3
InChIKeyYXAYSBZKORCUJX-UHFFFAOYSA-N
XLogP3.27
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;2-ethylnaphthalene
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ethane;2-ethyl-7-methylnaphthalene;methane
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2-(4-ethylphenyl)quinazoline-6-carbonitrile
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2,6-bis(6-ethylnaphthalen-2-yl)anthracene
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7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile
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1-(4-ethylphenyl)sulfonylindole-5-carbonitrile
CID 46890868
4-(4-ethylphenyl)-3-phenylbenzonitrile
CID 46864016
2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene
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2-ethyl-6-[2-(4-hexylphenyl)ethynyl]naphthalene
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Frequently Asked Questions

What is the IUPAC name of 7-ethylnaphthalene-2-carbonitrile?
The IUPAC name of 7-ethylnaphthalene-2-carbonitrile (CID 134555002) is 7-ethylnaphthalene-2-carbonitrile.
What is the SMILES notation for 7-ethylnaphthalene-2-carbonitrile?
The canonical SMILES for 7-ethylnaphthalene-2-carbonitrile is CCc1ccc2ccc(C#N)cc2c1.
What is the InChIKey of 7-ethylnaphthalene-2-carbonitrile?
The InChIKey is YXAYSBZKORCUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-2-10-3-5-12-6-4-11(9-14)8-13(12)7-10/h3-8H,2H2,1H3.
What are the key properties of 7-ethylnaphthalene-2-carbonitrile?
7-ethylnaphthalene-2-carbonitrile has a molecular weight of 181.24 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylnaphthalene-2-carbonitrile is sourced from PubChem (CID 134555002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).