[5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol

C10H19NO4 — CID 101385787

IUPAC[5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol
SMILESCOC1(CO)C=CC(CN(C)C)(OC)O1
InChIInChI=1S/C10H19NO4/c1-11(2)7-9(13-3)5-6-10(8-12,14-4)15-9/h5-6,12H,7-8H2,1-4H3
InChIKeyUEGBUCZZTFWNMV-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.19
Rot. Bonds5

About [5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol

[5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol (PubChem CID 101385787) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol
PubChem CID101385787
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name[5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol
SMILESCOC1(CO)C=CC(CN(C)C)(OC)O1
InChIInChI=1S/C10H19NO4/c1-11(2)7-9(13-3)5-6-10(8-12,14-4)15-9/h5-6,12H,7-8H2,1-4H3
InChIKeyUEGBUCZZTFWNMV-UHFFFAOYSA-N
XLogP-0.19
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol?
The IUPAC name of [5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol (CID 101385787) is [5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol.
What is the SMILES notation for [5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol?
The canonical SMILES for [5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol is COC1(CO)C=CC(CN(C)C)(OC)O1.
What is the InChIKey of [5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol?
The InChIKey is UEGBUCZZTFWNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-11(2)7-9(13-3)5-6-10(8-12,14-4)15-9/h5-6,12H,7-8H2,1-4H3.
What are the key properties of [5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol?
[5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol has a molecular weight of 217.26 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol is sourced from PubChem (CID 101385787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).