5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one

C14H17NO4 — CID 135111048

IUPAC5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one
SMILESCOc1coc(CN(C)Cc2ccc(C)o2)cc1=O
InChIInChI=1S/C14H17NO4/c1-10-4-5-11(19-10)7-15(2)8-12-6-13(16)14(17-3)9-18-12/h4-6,9H,7-8H2,1-3H3
InChIKeySTDXMPSXSXPCKT-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.18
Rot. Bonds5

About 5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one

5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one (PubChem CID 135111048) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one
PubChem CID135111048
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one
SMILESCOc1coc(CN(C)Cc2ccc(C)o2)cc1=O
InChIInChI=1S/C14H17NO4/c1-10-4-5-11(19-10)7-15(2)8-12-6-13(16)14(17-3)9-18-12/h4-6,9H,7-8H2,1-3H3
InChIKeySTDXMPSXSXPCKT-UHFFFAOYSA-N
XLogP2.18
TPSA55.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one?
The IUPAC name of 5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one (CID 135111048) is 5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one.
What is the SMILES notation for 5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one?
The canonical SMILES for 5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one is COc1coc(CN(C)Cc2ccc(C)o2)cc1=O.
What is the InChIKey of 5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one?
The InChIKey is STDXMPSXSXPCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10-4-5-11(19-10)7-15(2)8-12-6-13(16)14(17-3)9-18-12/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one?
5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one has a molecular weight of 263.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one is sourced from PubChem (CID 135111048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).