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

C11H11N — CID 10953780

IUPAC1,2,3,4-tetrahydronaphthalene-1-carbonitrile
SMILESN#CC1CCCc2ccccc21
InChIInChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7,10H,3,5-6H2
InChIKeyHMRIXHRQNXHLSL-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.63
Rot. Bonds

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

1,2,3,4-tetrahydronaphthalene-1-carbonitrile (PubChem CID 10953780) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalene-1-carbonitrile
PubChem CID10953780
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name1,2,3,4-tetrahydronaphthalene-1-carbonitrile
SMILESN#CC1CCCc2ccccc21
InChIInChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7,10H,3,5-6H2
InChIKeyHMRIXHRQNXHLSL-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
The IUPAC name of 1,2,3,4-tetrahydronaphthalene-1-carbonitrile (CID 10953780) is 1,2,3,4-tetrahydronaphthalene-1-carbonitrile.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalene-1-carbonitrile is N#CC1CCCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
The InChIKey is HMRIXHRQNXHLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7,10H,3,5-6H2.
What are the key properties of 1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
1,2,3,4-tetrahydronaphthalene-1-carbonitrile has a molecular weight of 157.22 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalene-1-carbonitrile is sourced from PubChem (CID 10953780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).