(3-methylimidazol-4-yl)-(oxolan-3-yl)methanol

C9H14N2O2 — CID 66118619

IUPAC(3-methylimidazol-4-yl)-(oxolan-3-yl)methanol
SMILESCn1cncc1C(O)C1CCOC1
InChIInChI=1S/C9H14N2O2/c1-11-6-10-4-8(11)9(12)7-2-3-13-5-7/h4,6-7,9,12H,2-3,5H2,1H3
InChIKeyGWIQSECTMPKAES-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.49
Rot. Bonds2

About (3-methylimidazol-4-yl)-(oxolan-3-yl)methanol

(3-methylimidazol-4-yl)-(oxolan-3-yl)methanol (PubChem CID 66118619) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-(oxolan-3-yl)methanol
PubChem CID66118619
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(3-methylimidazol-4-yl)-(oxolan-3-yl)methanol
SMILESCn1cncc1C(O)C1CCOC1
InChIInChI=1S/C9H14N2O2/c1-11-6-10-4-8(11)9(12)7-2-3-13-5-7/h4,6-7,9,12H,2-3,5H2,1H3
InChIKeyGWIQSECTMPKAES-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-(oxolan-3-yl)methanol?
The IUPAC name of (3-methylimidazol-4-yl)-(oxolan-3-yl)methanol (CID 66118619) is (3-methylimidazol-4-yl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (3-methylimidazol-4-yl)-(oxolan-3-yl)methanol?
The canonical SMILES for (3-methylimidazol-4-yl)-(oxolan-3-yl)methanol is Cn1cncc1C(O)C1CCOC1.
What is the InChIKey of (3-methylimidazol-4-yl)-(oxolan-3-yl)methanol?
The InChIKey is GWIQSECTMPKAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11-6-10-4-8(11)9(12)7-2-3-13-5-7/h4,6-7,9,12H,2-3,5H2,1H3.
What are the key properties of (3-methylimidazol-4-yl)-(oxolan-3-yl)methanol?
(3-methylimidazol-4-yl)-(oxolan-3-yl)methanol has a molecular weight of 182.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 66118619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).