2,3-dichloro-6-methylidenecyclohexane-1-carbonitrile

C8H9Cl2N — CID 90827199

IUPAC2,3-dichloro-6-methylidenecyclohexane-1-carbonitrile
SMILESC=C1CCC(Cl)C(Cl)C1C#N
InChIInChI=1S/C8H9Cl2N/c1-5-2-3-7(9)8(10)6(5)4-11/h6-8H,1-3H2
InChIKeyAZNNPXZKBTZGLN-UHFFFAOYSA-N
MW190.07 g/mol
LogP2.69
Rot. Bonds

About 2,3-dichloro-6-methylidenecyclohexane-1-carbonitrile

2,3-dichloro-6-methylidenecyclohexane-1-carbonitrile (PubChem CID 90827199) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is 2,3-dichloro-6-methylidenecyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2,3-dichloro-6-methylidenecyclohexane-1-carbonitrile
PubChem CID90827199
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name2,3-dichloro-6-methylidenecyclohexane-1-carbonitrile
SMILESC=C1CCC(Cl)C(Cl)C1C#N
InChIInChI=1S/C8H9Cl2N/c1-5-2-3-7(9)8(10)6(5)4-11/h6-8H,1-3H2
InChIKeyAZNNPXZKBTZGLN-UHFFFAOYSA-N
XLogP2.69
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-methylidenecyclohexane-1-carbonitrile
CID 91586080
(1S,4R)-3-methylidenebicyclo[2.2.1]heptane-2-carbonitrile
CID 102015584
1,2,3,4-tetrachloro-5-methylidenecyclohexane
CID 90888986
1-methyl-2-methylidenecyclobutane
CID 20800914
2-chloro-3-hydroxy-4-methylidenecyclohexane-1-carbaldehyde
CID 169004796
(2S)-2-cyclopropyl-4-oxopiperidine-3-carbonitrile
CID 176644947
(2R)-azetidine-2-carbonitrile;hydrochloride
CID 118798148
3-chlorooxolane-2-carbonitrile
CID 524395
2-methylidene-4-oxocyclobutane-1-carbonitrile
CID 130301257
2-chloro-3-methylidenepiperidine
CID 90875283
2-oxo-7-pent-4-enylcycloheptane-1-carbonitrile
CID 72661962
1,2,3,4,5,6-hexachlorocyclodecane
CID 23497888

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6-methylidenecyclohexane-1-carbonitrile?
The IUPAC name of 2,3-dichloro-6-methylidenecyclohexane-1-carbonitrile (CID 90827199) is 2,3-dichloro-6-methylidenecyclohexane-1-carbonitrile.
What is the SMILES notation for 2,3-dichloro-6-methylidenecyclohexane-1-carbonitrile?
The canonical SMILES for 2,3-dichloro-6-methylidenecyclohexane-1-carbonitrile is C=C1CCC(Cl)C(Cl)C1C#N.
What is the InChIKey of 2,3-dichloro-6-methylidenecyclohexane-1-carbonitrile?
The InChIKey is AZNNPXZKBTZGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N/c1-5-2-3-7(9)8(10)6(5)4-11/h6-8H,1-3H2.
What are the key properties of 2,3-dichloro-6-methylidenecyclohexane-1-carbonitrile?
2,3-dichloro-6-methylidenecyclohexane-1-carbonitrile has a molecular weight of 190.07 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-methylidenecyclohexane-1-carbonitrile is sourced from PubChem (CID 90827199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).