1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol

C13H20N2O — CID 114529132

IUPAC1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)C1CC=CCC1
InChIInChI=1S/C13H20N2O/c1-15-10-9-14-13(15)8-7-12(16)11-5-3-2-4-6-11/h2-3,9-12,16H,4-8H2,1H3
InChIKeyPMQLYQAPSMPSCK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.07
Rot. Bonds4

About 1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol

1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol (PubChem CID 114529132) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol
PubChem CID114529132
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)C1CC=CCC1
InChIInChI=1S/C13H20N2O/c1-15-10-9-14-13(15)8-7-12(16)11-5-3-2-4-6-11/h2-3,9-12,16H,4-8H2,1H3
InChIKeyPMQLYQAPSMPSCK-UHFFFAOYSA-N
XLogP2.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837979
3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol
CID 115838015
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529815
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529846
3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol
CID 114529802
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530243
4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol
CID 105130936
4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol
CID 114532622

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol?
The IUPAC name of 1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol (CID 114529132) is 1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol is Cn1ccnc1CCC(O)C1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol?
The InChIKey is PMQLYQAPSMPSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15-10-9-14-13(15)8-7-12(16)11-5-3-2-4-6-11/h2-3,9-12,16H,4-8H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol?
1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 114529132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).