cyclohex-2-en-1-ylmethyl(methylidyne)azanium

C8H12N+ — CID 163479436

IUPACcyclohex-2-en-1-ylmethyl(methylidyne)azanium
SMILESC#[N+]CC1C=CCCC1
InChIInChI=1S/C8H12N/c1-9-7-8-5-3-2-4-6-8/h1,3,5,8H,2,4,6-7H2/q+1
InChIKeyXPZINCAQIBKURJ-UHFFFAOYSA-N
MW122.19 g/mol
LogP2.31
Rot. Bonds1

About cyclohex-2-en-1-ylmethyl(methylidyne)azanium

cyclohex-2-en-1-ylmethyl(methylidyne)azanium (PubChem CID 163479436) has the molecular formula C8H12N+ and a molecular weight of 122.19 g/mol. Its IUPAC name is cyclohex-2-en-1-ylmethyl(methylidyne)azanium.

Molecular Properties

Compound Namecyclohex-2-en-1-ylmethyl(methylidyne)azanium
PubChem CID163479436
Molecular FormulaC8H12N+
Molecular Weight122.19 g/mol
Exact Mass122.10
IUPAC Namecyclohex-2-en-1-ylmethyl(methylidyne)azanium
SMILESC#[N+]CC1C=CCCC1
InChIInChI=1S/C8H12N/c1-9-7-8-5-3-2-4-6-8/h1,3,5,8H,2,4,6-7H2/q+1
InChIKeyXPZINCAQIBKURJ-UHFFFAOYSA-N
XLogP2.31
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(Azidomethyl)cyclohexene
CID 118272396
3-(Isocyanomethyl)-4-methylidenecyclopentene
CID 23528913
3-(Isothiocyanatomethyl)cyclohexene
CID 59044978
3-(2-Isocyanoethyl)cyclohexene
CID 123828561
N-(cyclohex-2-en-1-ylmethyl)methanimine
CID 163609342
1-cyclohex-2-en-1-yl-N,N-dimethylmethanamine
CID 21391823
4-(2-Azidoethyl)cyclohex-1-ene
CID 129985520
4-(2-Isocyanoethyl)cyclohex-1-ene
CID 165615549
4-(1-Isocyanoethyl)cyclohex-1-ene
CID 165658752
4-(Isocyanomethyl)cyclohex-1-ene
CID 165676118
[(E)-3-isocyanoprop-1-enyl]cyclohexane
CID 177406975

Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-ylmethyl(methylidyne)azanium?
The IUPAC name of cyclohex-2-en-1-ylmethyl(methylidyne)azanium (CID 163479436) is cyclohex-2-en-1-ylmethyl(methylidyne)azanium.
What is the SMILES notation for cyclohex-2-en-1-ylmethyl(methylidyne)azanium?
The canonical SMILES for cyclohex-2-en-1-ylmethyl(methylidyne)azanium is C#[N+]CC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-ylmethyl(methylidyne)azanium?
The InChIKey is XPZINCAQIBKURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N/c1-9-7-8-5-3-2-4-6-8/h1,3,5,8H,2,4,6-7H2/q+1.
What are the key properties of cyclohex-2-en-1-ylmethyl(methylidyne)azanium?
cyclohex-2-en-1-ylmethyl(methylidyne)azanium has a molecular weight of 122.19 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-ylmethyl(methylidyne)azanium is sourced from PubChem (CID 163479436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).