3-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one

C10H16N2O3 — CID 138733386

IUPAC3-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one
SMILESCNCCN(C)Cc1occc(=O)c1O
InChIInChI=1S/C10H16N2O3/c1-11-4-5-12(2)7-9-10(14)8(13)3-6-15-9/h3,6,11,14H,4-5,7H2,1-2H3
InChIKeyRBXDYTFVHOXBPA-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.00
Rot. Bonds5

About 3-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one

3-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one (PubChem CID 138733386) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one
PubChem CID138733386
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one
SMILESCNCCN(C)Cc1occc(=O)c1O
InChIInChI=1S/C10H16N2O3/c1-11-4-5-12(2)7-9-10(14)8(13)3-6-15-9/h3,6,11,14H,4-5,7H2,1-2H3
InChIKeyRBXDYTFVHOXBPA-UHFFFAOYSA-N
XLogP-0.00
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one?
The IUPAC name of 3-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one (CID 138733386) is 3-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one.
What is the SMILES notation for 3-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one?
The canonical SMILES for 3-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one is CNCCN(C)Cc1occc(=O)c1O.
What is the InChIKey of 3-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one?
The InChIKey is RBXDYTFVHOXBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-11-4-5-12(2)7-9-10(14)8(13)3-6-15-9/h3,6,11,14H,4-5,7H2,1-2H3.
What are the key properties of 3-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one?
3-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one has a molecular weight of 212.25 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one is sourced from PubChem (CID 138733386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).