[5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol

C9H14N2O2 — CID 131048149

IUPAC[5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol
SMILESCn1ccnc1C1CCC(CO)O1
InChIInChI=1S/C9H14N2O2/c1-11-5-4-10-9(11)8-3-2-7(6-12)13-8/h4-5,7-8,12H,2-3,6H2,1H3
InChIKeyRPUTVFUXOZOACC-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.63
Rot. Bonds2

About [5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol

[5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol (PubChem CID 131048149) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is [5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol
PubChem CID131048149
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name[5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol
SMILESCn1ccnc1C1CCC(CO)O1
InChIInChI=1S/C9H14N2O2/c1-11-5-4-10-9(11)8-3-2-7(6-12)13-8/h4-5,7-8,12H,2-3,6H2,1H3
InChIKeyRPUTVFUXOZOACC-UHFFFAOYSA-N
XLogP0.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol?
The IUPAC name of [5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol (CID 131048149) is [5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol?
The canonical SMILES for [5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol is Cn1ccnc1C1CCC(CO)O1.
What is the InChIKey of [5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol?
The InChIKey is RPUTVFUXOZOACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11-5-4-10-9(11)8-3-2-7(6-12)13-8/h4-5,7-8,12H,2-3,6H2,1H3.
What are the key properties of [5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol?
[5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol has a molecular weight of 182.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 131048149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).