1-cyclohex-2-en-1-yl-2-ethylimidazole

C11H16N2 — CID 115769674

IUPAC1-cyclohex-2-en-1-yl-2-ethylimidazole
SMILESCCc1nccn1C1C=CCCC1
InChIInChI=1S/C11H16N2/c1-2-11-12-8-9-13(11)10-6-4-3-5-7-10/h4,6,8-10H,2-3,5,7H2,1H3
InChIKeyDILYCPNJQCYEPL-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.73
Rot. Bonds2

About 1-cyclohex-2-en-1-yl-2-ethylimidazole

1-cyclohex-2-en-1-yl-2-ethylimidazole (PubChem CID 115769674) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-2-ethylimidazole.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-2-ethylimidazole
PubChem CID115769674
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-cyclohex-2-en-1-yl-2-ethylimidazole
SMILESCCc1nccn1C1C=CCCC1
InChIInChI=1S/C11H16N2/c1-2-11-12-8-9-13(11)10-6-4-3-5-7-10/h4,6,8-10H,2-3,5,7H2,1H3
InChIKeyDILYCPNJQCYEPL-UHFFFAOYSA-N
XLogP2.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.73
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

2-(2-ethylimidazol-1-yl)cyclopentan-1-amine
CID 61405200
1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole
CID 155911100
1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole
CID 175095411
2-ethyl-1-(4-methylcyclohexyl)imidazole
CID 64776318
4-(2-ethylimidazol-1-yl)-1-methylazepane
CID 84734196
trans-(1S,2S)-2-(2-propylimidazol-1-yl)cyclopentan-1-ol
CID 102735175
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole
CID 79919368
3-(2-ethylimidazol-1-yl)oxan-4-amine
CID 61402240
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62703898
4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 124883297
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-2-ethylimidazole?
The IUPAC name of 1-cyclohex-2-en-1-yl-2-ethylimidazole (CID 115769674) is 1-cyclohex-2-en-1-yl-2-ethylimidazole.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-2-ethylimidazole?
The canonical SMILES for 1-cyclohex-2-en-1-yl-2-ethylimidazole is CCc1nccn1C1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-2-ethylimidazole?
The InChIKey is DILYCPNJQCYEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-11-12-8-9-13(11)10-6-4-3-5-7-10/h4,6,8-10H,2-3,5,7H2,1H3.
What are the key properties of 1-cyclohex-2-en-1-yl-2-ethylimidazole?
1-cyclohex-2-en-1-yl-2-ethylimidazole has a molecular weight of 176.26 g/mol, XLogP of 2.73, 2 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-yl-2-ethylimidazole is sourced from PubChem (CID 115769674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).