7-ethyl-3,4-dihydronaphthalene-1-carbonitrile

C13H13N — CID 82075141

IUPAC7-ethyl-3,4-dihydronaphthalene-1-carbonitrile
SMILESCCc1ccc2c(c1)C(C#N)=CCC2
InChIInChI=1S/C13H13N/c1-2-10-6-7-11-4-3-5-12(9-14)13(11)8-10/h5-8H,2-4H2,1H3
InChIKeyLFWZOZGUYHXSAT-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.10
Rot. Bonds1

About 7-ethyl-3,4-dihydronaphthalene-1-carbonitrile

7-ethyl-3,4-dihydronaphthalene-1-carbonitrile (PubChem CID 82075141) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 7-ethyl-3,4-dihydronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name7-ethyl-3,4-dihydronaphthalene-1-carbonitrile
PubChem CID82075141
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name7-ethyl-3,4-dihydronaphthalene-1-carbonitrile
SMILESCCc1ccc2c(c1)C(C#N)=CCC2
InChIInChI=1S/C13H13N/c1-2-10-6-7-11-4-3-5-12(9-14)13(11)8-10/h5-8H,2-4H2,1H3
InChIKeyLFWZOZGUYHXSAT-UHFFFAOYSA-N
XLogP3.10
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,4-dihydronaphthalene-1-carbonitrile?
The IUPAC name of 7-ethyl-3,4-dihydronaphthalene-1-carbonitrile (CID 82075141) is 7-ethyl-3,4-dihydronaphthalene-1-carbonitrile.
What is the SMILES notation for 7-ethyl-3,4-dihydronaphthalene-1-carbonitrile?
The canonical SMILES for 7-ethyl-3,4-dihydronaphthalene-1-carbonitrile is CCc1ccc2c(c1)C(C#N)=CCC2.
What is the InChIKey of 7-ethyl-3,4-dihydronaphthalene-1-carbonitrile?
The InChIKey is LFWZOZGUYHXSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-2-10-6-7-11-4-3-5-12(9-14)13(11)8-10/h5-8H,2-4H2,1H3.
What are the key properties of 7-ethyl-3,4-dihydronaphthalene-1-carbonitrile?
7-ethyl-3,4-dihydronaphthalene-1-carbonitrile has a molecular weight of 183.25 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,4-dihydronaphthalene-1-carbonitrile is sourced from PubChem (CID 82075141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).