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

C13H15N — CID 118900077

IUPAC5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCC1CCc2cc(C#N)ccc2C1C
InChIInChI=1S/C13H15N/c1-9-3-5-12-7-11(8-14)4-6-13(12)10(9)2/h4,6-7,9-10H,3,5H2,1-2H3
InChIKeyIWKFRLUKUYEGRU-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.24
Rot. Bonds

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

5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 118900077) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID118900077
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCC1CCc2cc(C#N)ccc2C1C
InChIInChI=1S/C13H15N/c1-9-3-5-12-7-11(8-14)4-6-13(12)10(9)2/h4,6-7,9-10H,3,5H2,1-2H3
InChIKeyIWKFRLUKUYEGRU-UHFFFAOYSA-N
XLogP3.24
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 118900077) is 5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is CC1CCc2cc(C#N)ccc2C1C.
What is the InChIKey of 5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is IWKFRLUKUYEGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-9-3-5-12-7-11(8-14)4-6-13(12)10(9)2/h4,6-7,9-10H,3,5H2,1-2H3.
What are the key properties of 5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 185.27 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 118900077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).