2-methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one

C11H15NO3 — CID 84676763

IUPAC2-methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one
SMILESCc1occc(=O)c1OCC1CCCN1
InChIInChI=1S/C11H15NO3/c1-8-11(10(13)4-6-14-8)15-7-9-3-2-5-12-9/h4,6,9,12H,2-3,5,7H2,1H3
InChIKeyPYXYMPPNULLOQI-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.08
Rot. Bonds3

About 2-methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one

2-methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one (PubChem CID 84676763) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one.

Molecular Properties

Compound Name2-methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one
PubChem CID84676763
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one
SMILESCc1occc(=O)c1OCC1CCCN1
InChIInChI=1S/C11H15NO3/c1-8-11(10(13)4-6-14-8)15-7-9-3-2-5-12-9/h4,6,9,12H,2-3,5,7H2,1H3
InChIKeyPYXYMPPNULLOQI-UHFFFAOYSA-N
XLogP1.08
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one
CID 84665473
2-Methyl-3-pyrrolidin-3-yloxypyran-4-one
CID 84666009
3-(Pyrrolidin-2-ylmethoxy)pyran-4-one
CID 84666011
2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one
CID 84676154
1,2-Dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one
CID 84687733
2-Methyl-3-(piperidin-2-ylmethoxy)pyran-4-one
CID 84688339

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one?
The IUPAC name of 2-methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one (CID 84676763) is 2-methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one.
What is the SMILES notation for 2-methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one?
The canonical SMILES for 2-methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one is Cc1occc(=O)c1OCC1CCCN1.
What is the InChIKey of 2-methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one?
The InChIKey is PYXYMPPNULLOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-11(10(13)4-6-14-8)15-7-9-3-2-5-12-9/h4,6,9,12H,2-3,5,7H2,1H3.
What are the key properties of 2-methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one?
2-methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one has a molecular weight of 209.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one is sourced from PubChem (CID 84676763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).