cyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol

C12H18N2O — CID 63976888

IUPACcyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol
SMILESCCn1ccnc1C(O)C1CC=CCC1
InChIInChI=1S/C12H18N2O/c1-2-14-9-8-13-12(14)11(15)10-6-4-3-5-7-10/h3-4,8-11,15H,2,5-7H2,1H3
InChIKeyATRBZLCOSOSUNJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.29
Rot. Bonds3

About cyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol

cyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol (PubChem CID 63976888) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol
PubChem CID63976888
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Namecyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol
SMILESCCn1ccnc1C(O)C1CC=CCC1
InChIInChI=1S/C12H18N2O/c1-2-14-9-8-13-12(14)11(15)10-6-4-3-5-7-10/h3-4,8-11,15H,2,5-7H2,1H3
InChIKeyATRBZLCOSOSUNJ-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol?
The IUPAC name of cyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol (CID 63976888) is cyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol.
What is the SMILES notation for cyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol?
The canonical SMILES for cyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol is CCn1ccnc1C(O)C1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol?
The InChIKey is ATRBZLCOSOSUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-14-9-8-13-12(14)11(15)10-6-4-3-5-7-10/h3-4,8-11,15H,2,5-7H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol?
cyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol has a molecular weight of 206.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol is sourced from PubChem (CID 63976888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).