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

C11H15NO3 — CID 84676764

IUPAC2-methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one
SMILESCc1occc(=O)c1OCC1CCNC1
InChIInChI=1S/C11H15NO3/c1-8-11(10(13)3-5-14-8)15-7-9-2-4-12-6-9/h3,5,9,12H,2,4,6-7H2,1H3
InChIKeySVGJBYDJWRDRBC-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.94
Rot. Bonds3

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

2-methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one (PubChem CID 84676764) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one.

Molecular Properties

Compound Name2-methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one
PubChem CID84676764
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one
SMILESCc1occc(=O)c1OCC1CCNC1
InChIInChI=1S/C11H15NO3/c1-8-11(10(13)3-5-14-8)15-7-9-2-4-12-6-9/h3,5,9,12H,2,4,6-7H2,1H3
InChIKeySVGJBYDJWRDRBC-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-3-pyrrolidin-3-yloxypyran-4-one
CID 84666009
3-(Pyrrolidin-3-ylmethoxy)pyran-4-one
CID 84666012
2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one
CID 84676156
1,2-Dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
CID 84687734
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 102648332
1-(2,3-Dihydrofuran-5-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 102652455
1-(2,3-Dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one
CID 102652532

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one?
The IUPAC name of 2-methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one (CID 84676764) is 2-methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one.
What is the SMILES notation for 2-methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one?
The canonical SMILES for 2-methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one is Cc1occc(=O)c1OCC1CCNC1.
What is the InChIKey of 2-methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one?
The InChIKey is SVGJBYDJWRDRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-11(10(13)3-5-14-8)15-7-9-2-4-12-6-9/h3,5,9,12H,2,4,6-7H2,1H3.
What are the key properties of 2-methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one?
2-methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one has a molecular weight of 209.24 g/mol, XLogP of 0.94, 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-3-ylmethoxy)pyran-4-one is sourced from PubChem (CID 84676764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).