1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol

C11H18N2O2 — CID 66118185

IUPAC1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESCn1cncc1C(O)CCC1CCCO1
InChIInChI=1S/C11H18N2O2/c1-13-8-12-7-10(13)11(14)5-4-9-3-2-6-15-9/h7-9,11,14H,2-6H2,1H3
InChIKeyNVZRGYLCJHHXMJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.41
Rot. Bonds4

About 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol

1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 66118185) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID66118185
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESCn1cncc1C(O)CCC1CCCO1
InChIInChI=1S/C11H18N2O2/c1-13-8-12-7-10(13)11(14)5-4-9-3-2-6-15-9/h7-9,11,14H,2-6H2,1H3
InChIKeyNVZRGYLCJHHXMJ-UHFFFAOYSA-N
XLogP1.41
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol (CID 66118185) is 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol is Cn1cncc1C(O)CCC1CCCO1.
What is the InChIKey of 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is NVZRGYLCJHHXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13-8-12-7-10(13)11(14)5-4-9-3-2-6-15-9/h7-9,11,14H,2-6H2,1H3.
What are the key properties of 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol?
1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 66118185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).