1-cyclohex-2-en-1-ylimidazole

C9H12N2 — CID 13491238

IUPAC1-cyclohex-2-en-1-ylimidazole
SMILESC1=CC(n2ccnc2)CCC1
InChIInChI=1S/C9H12N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h2,4,6-9H,1,3,5H2
InChIKeyFALWGKDOLNSJQS-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.16
Rot. Bonds1

About 1-cyclohex-2-en-1-ylimidazole

1-cyclohex-2-en-1-ylimidazole (PubChem CID 13491238) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-ylimidazole.

Molecular Properties

Compound Name1-cyclohex-2-en-1-ylimidazole
PubChem CID13491238
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-cyclohex-2-en-1-ylimidazole
SMILESC1=CC(n2ccnc2)CCC1
InChIInChI=1S/C9H12N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h2,4,6-9H,1,3,5H2
InChIKeyFALWGKDOLNSJQS-UHFFFAOYSA-N
XLogP2.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Subsituted 1H-imidazole, 10
CID 20148469
1-Subsituted 1H-imidazole, 13
CID 23466933
1-Subsituted 1H-imidazole, 14
CID 25116047
1-Subsituted 1H-imidazole, 12
CID 57339815
4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine
CID 10678575
1-[(Z)-octadec-9-enyl]imidazole
CID 44265692
1-Cyclohexylimidazole
CID 10942619
Cyclohex-3-enylmethyl-(3-imidazol-1-yl-propyl)-amine
CID 3152363
1-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazol-3-ium
CID 49767911
1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole
CID 10954357
N-geranylimidazol
CID 13309275
1-Allyl-3-octylimidazolium bromide
CID 86614379

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-ylimidazole?
The IUPAC name of 1-cyclohex-2-en-1-ylimidazole (CID 13491238) is 1-cyclohex-2-en-1-ylimidazole.
What is the SMILES notation for 1-cyclohex-2-en-1-ylimidazole?
The canonical SMILES for 1-cyclohex-2-en-1-ylimidazole is C1=CC(n2ccnc2)CCC1.
What is the InChIKey of 1-cyclohex-2-en-1-ylimidazole?
The InChIKey is FALWGKDOLNSJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h2,4,6-9H,1,3,5H2.
What are the key properties of 1-cyclohex-2-en-1-ylimidazole?
1-cyclohex-2-en-1-ylimidazole has a molecular weight of 148.21 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-ylimidazole is sourced from PubChem (CID 13491238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).