[5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

C15H23NO5 — CID 128989906

IUPAC[5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCOCC1CN(C(=O)c2oc(CO)cc2C)CC(C)(C)O1
InChIInChI=1S/C15H23NO5/c1-10-5-11(7-17)20-13(10)14(18)16-6-12(8-19-4)21-15(2,3)9-16/h5,12,17H,6-9H2,1-4H3
InChIKeyNVRFWTUCRQSKAK-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.35
Rot. Bonds4

About [5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

[5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 128989906) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is [5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID128989906
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name[5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCOCC1CN(C(=O)c2oc(CO)cc2C)CC(C)(C)O1
InChIInChI=1S/C15H23NO5/c1-10-5-11(7-17)20-13(10)14(18)16-6-12(8-19-4)21-15(2,3)9-16/h5,12,17H,6-9H2,1-4H3
InChIKeyNVRFWTUCRQSKAK-UHFFFAOYSA-N
XLogP1.35
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (CID 128989906) is [5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is COCC1CN(C(=O)c2oc(CO)cc2C)CC(C)(C)O1.
What is the InChIKey of [5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is NVRFWTUCRQSKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-10-5-11(7-17)20-13(10)14(18)16-6-12(8-19-4)21-15(2,3)9-16/h5,12,17H,6-9H2,1-4H3.
What are the key properties of [5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
[5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone has a molecular weight of 297.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 128989906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).