5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile

C11H10ClN — CID 134106267

IUPAC5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
SMILESN#CC1CCCc2c(Cl)cccc21
InChIInChI=1S/C11H10ClN/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h2,4,6,8H,1,3,5H2
InChIKeyJXEANNIVBZLZRR-UHFFFAOYSA-N
MW191.66 g/mol
LogP3.28
Rot. Bonds

About 5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile

5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile (PubChem CID 134106267) has the molecular formula C11H10ClN and a molecular weight of 191.66 g/mol. Its IUPAC name is 5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
PubChem CID134106267
Molecular FormulaC11H10ClN
Molecular Weight191.66 g/mol
Exact Mass191.05
IUPAC Name5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
SMILESN#CC1CCCc2c(Cl)cccc21
InChIInChI=1S/C11H10ClN/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h2,4,6,8H,1,3,5H2
InChIKeyJXEANNIVBZLZRR-UHFFFAOYSA-N
XLogP3.28
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-chloro-1,2,3,4-tetrahydronaphthalene-1-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-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
The IUPAC name of 5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile (CID 134106267) is 5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile.
What is the SMILES notation for 5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
The canonical SMILES for 5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile is N#CC1CCCc2c(Cl)cccc21.
What is the InChIKey of 5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
The InChIKey is JXEANNIVBZLZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h2,4,6,8H,1,3,5H2.
What are the key properties of 5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile has a molecular weight of 191.66 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile is sourced from PubChem (CID 134106267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).