5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C11H11N — CID 582354

IUPAC5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C11H11N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h5-7H,1-4H2
InChIKeyTWDAXWPAXMGRAF-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.44
Rot. Bonds

About 5,6,7,8-tetrahydronaphthalene-2-carbonitrile

5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 582354) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID582354
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C11H11N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h5-7H,1-4H2
InChIKeyTWDAXWPAXMGRAF-UHFFFAOYSA-N
XLogP2.44
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 582354) is 5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is TWDAXWPAXMGRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h5-7H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 157.22 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 582354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).