(4R)-2-bromo-4-methylcyclohexane-1-carbonitrile

C8H12BrN — CID 130748404

IUPAC(4R)-2-bromo-4-methylcyclohexane-1-carbonitrile
SMILESC[C@@H]1CCC(C#N)C(Br)C1
InChIInChI=1S/C8H12BrN/c1-6-2-3-7(5-10)8(9)4-6/h6-8H,2-4H2,1H3/t6-,7?,8?/m1/s1
InChIKeyGLJCBDXNJPIHGN-JECWYVHBSA-N
MW202.09 g/mol
LogP2.71
Rot. Bonds

About (4R)-2-bromo-4-methylcyclohexane-1-carbonitrile

(4R)-2-bromo-4-methylcyclohexane-1-carbonitrile (PubChem CID 130748404) has the molecular formula C8H12BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is (4R)-2-bromo-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name(4R)-2-bromo-4-methylcyclohexane-1-carbonitrile
PubChem CID130748404
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
Exact Mass201.02
IUPAC Name(4R)-2-bromo-4-methylcyclohexane-1-carbonitrile
SMILESC[C@@H]1CCC(C#N)C(Br)C1
InChIInChI=1S/C8H12BrN/c1-6-2-3-7(5-10)8(9)4-6/h6-8H,2-4H2,1H3/t6-,7?,8?/m1/s1
InChIKeyGLJCBDXNJPIHGN-JECWYVHBSA-N
XLogP2.71
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-propylcyclohexane-1-carbonitrile
CID 142857903
(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
CID 93286230
2-methylcyclobutane-1-carbonitrile
CID 105426925
ethane;trans-(1S,3S)-3-methylcyclopentane-1-carbonitrile
CID 167444933
2-tert-butylsulfinyl-4-methylcyclohexane-1-carbonitrile
CID 64690063
2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 43291939
cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile
CID 58392287
2-cyclopentylsulfinyl-4-methylcyclohexane-1-carbonitrile
CID 64692762
(1S,2R,4S)-1-bromo-2,4-dimethylcyclohexane
CID 94275196
2-cyclohexylsulfonyl-4-methylcyclohexane-1-carbonitrile
CID 64691026
1,3,6,8-tetramethylcyclodecane
CID 162455053
(3R)-1,3-dimethylcyclopentane
CID 13119651

Frequently Asked Questions

What is the IUPAC name of (4R)-2-bromo-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of (4R)-2-bromo-4-methylcyclohexane-1-carbonitrile (CID 130748404) is (4R)-2-bromo-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for (4R)-2-bromo-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for (4R)-2-bromo-4-methylcyclohexane-1-carbonitrile is C[C@@H]1CCC(C#N)C(Br)C1.
What is the InChIKey of (4R)-2-bromo-4-methylcyclohexane-1-carbonitrile?
The InChIKey is GLJCBDXNJPIHGN-JECWYVHBSA-N. The full InChI is InChI=1S/C8H12BrN/c1-6-2-3-7(5-10)8(9)4-6/h6-8H,2-4H2,1H3/t6-,7?,8?/m1/s1.
What are the key properties of (4R)-2-bromo-4-methylcyclohexane-1-carbonitrile?
(4R)-2-bromo-4-methylcyclohexane-1-carbonitrile has a molecular weight of 202.09 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-bromo-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 130748404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).