2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile

C17H21N — CID 65006560

IUPAC2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile
SMILESCc1ccccc1C1(C#N)CC2(CCCCC2)C1
InChIInChI=1S/C17H21N/c1-14-7-3-4-8-15(14)17(13-18)11-16(12-17)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyLKCGLGMTVUKGOR-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.50
Rot. Bonds1

About 2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile

2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile (PubChem CID 65006560) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile.

Molecular Properties

Compound Name2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile
PubChem CID65006560
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile
SMILESCc1ccccc1C1(C#N)CC2(CCCCC2)C1
InChIInChI=1S/C17H21N/c1-14-7-3-4-8-15(14)17(13-18)11-16(12-17)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyLKCGLGMTVUKGOR-UHFFFAOYSA-N
XLogP4.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile?
The IUPAC name of 2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile (CID 65006560) is 2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile.
What is the SMILES notation for 2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile?
The canonical SMILES for 2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile is Cc1ccccc1C1(C#N)CC2(CCCCC2)C1.
What is the InChIKey of 2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile?
The InChIKey is LKCGLGMTVUKGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-14-7-3-4-8-15(14)17(13-18)11-16(12-17)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3.
What are the key properties of 2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile?
2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile has a molecular weight of 239.36 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile is sourced from PubChem (CID 65006560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).