3-methyl-3,4-dihydronaphthalene-1-carbonitrile

C12H11N — CID 12534936

IUPAC3-methyl-3,4-dihydronaphthalene-1-carbonitrile
SMILESCC1C=C(C#N)c2ccccc2C1
InChIInChI=1S/C12H11N/c1-9-6-10-4-2-3-5-12(10)11(7-9)8-13/h2-5,7,9H,6H2,1H3
InChIKeyZKCXYHQPDDVYQH-UHFFFAOYSA-N
MW169.23 g/mol
LogP2.79
Rot. Bonds

About 3-methyl-3,4-dihydronaphthalene-1-carbonitrile

3-methyl-3,4-dihydronaphthalene-1-carbonitrile (PubChem CID 12534936) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-methyl-3,4-dihydronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-3,4-dihydronaphthalene-1-carbonitrile
PubChem CID12534936
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name3-methyl-3,4-dihydronaphthalene-1-carbonitrile
SMILESCC1C=C(C#N)c2ccccc2C1
InChIInChI=1S/C12H11N/c1-9-6-10-4-2-3-5-12(10)11(7-9)8-13/h2-5,7,9H,6H2,1H3
InChIKeyZKCXYHQPDDVYQH-UHFFFAOYSA-N
XLogP2.79
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydronaphthalene-1-carbonitrile?
The IUPAC name of 3-methyl-3,4-dihydronaphthalene-1-carbonitrile (CID 12534936) is 3-methyl-3,4-dihydronaphthalene-1-carbonitrile.
What is the SMILES notation for 3-methyl-3,4-dihydronaphthalene-1-carbonitrile?
The canonical SMILES for 3-methyl-3,4-dihydronaphthalene-1-carbonitrile is CC1C=C(C#N)c2ccccc2C1.
What is the InChIKey of 3-methyl-3,4-dihydronaphthalene-1-carbonitrile?
The InChIKey is ZKCXYHQPDDVYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-9-6-10-4-2-3-5-12(10)11(7-9)8-13/h2-5,7,9H,6H2,1H3.
What are the key properties of 3-methyl-3,4-dihydronaphthalene-1-carbonitrile?
3-methyl-3,4-dihydronaphthalene-1-carbonitrile has a molecular weight of 169.23 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydronaphthalene-1-carbonitrile is sourced from PubChem (CID 12534936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).