2-(3-amino-2-methylpropyl)-3-methoxypyran-4-one

C10H15NO3 — CID 112713056

IUPAC2-(3-amino-2-methylpropyl)-3-methoxypyran-4-one
SMILESCOc1c(CC(C)CN)occc1=O
InChIInChI=1S/C10H15NO3/c1-7(6-11)5-9-10(13-2)8(12)3-4-14-9/h3-4,7H,5-6,11H2,1-2H3
InChIKeyOYSWHTCMUXWOOS-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.79
Rot. Bonds4

About 2-(3-amino-2-methylpropyl)-3-methoxypyran-4-one

2-(3-amino-2-methylpropyl)-3-methoxypyran-4-one (PubChem CID 112713056) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)-3-methoxypyran-4-one.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)-3-methoxypyran-4-one
PubChem CID112713056
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(3-amino-2-methylpropyl)-3-methoxypyran-4-one
SMILESCOc1c(CC(C)CN)occc1=O
InChIInChI=1S/C10H15NO3/c1-7(6-11)5-9-10(13-2)8(12)3-4-14-9/h3-4,7H,5-6,11H2,1-2H3
InChIKeyOYSWHTCMUXWOOS-UHFFFAOYSA-N
XLogP0.79
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)-3-methoxypyran-4-one?
The IUPAC name of 2-(3-amino-2-methylpropyl)-3-methoxypyran-4-one (CID 112713056) is 2-(3-amino-2-methylpropyl)-3-methoxypyran-4-one.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)-3-methoxypyran-4-one?
The canonical SMILES for 2-(3-amino-2-methylpropyl)-3-methoxypyran-4-one is COc1c(CC(C)CN)occc1=O.
What is the InChIKey of 2-(3-amino-2-methylpropyl)-3-methoxypyran-4-one?
The InChIKey is OYSWHTCMUXWOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(6-11)5-9-10(13-2)8(12)3-4-14-9/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of 2-(3-amino-2-methylpropyl)-3-methoxypyran-4-one?
2-(3-amino-2-methylpropyl)-3-methoxypyran-4-one has a molecular weight of 197.23 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)-3-methoxypyran-4-one is sourced from PubChem (CID 112713056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).