2-methyl-3-pyrrolidin-3-yloxypyran-4-one

C10H13NO3 — CID 84666009

IUPAC2-methyl-3-pyrrolidin-3-yloxypyran-4-one
SMILESCc1occc(=O)c1OC1CCNC1
InChIInChI=1S/C10H13NO3/c1-7-10(9(12)3-5-13-7)14-8-2-4-11-6-8/h3,5,8,11H,2,4,6H2,1H3
InChIKeyLXLDPAVVQIJCQH-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.69
Rot. Bonds2

About 2-methyl-3-pyrrolidin-3-yloxypyran-4-one

2-methyl-3-pyrrolidin-3-yloxypyran-4-one (PubChem CID 84666009) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-methyl-3-pyrrolidin-3-yloxypyran-4-one.

Molecular Properties

Compound Name2-methyl-3-pyrrolidin-3-yloxypyran-4-one
PubChem CID84666009
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-methyl-3-pyrrolidin-3-yloxypyran-4-one
SMILESCc1occc(=O)c1OC1CCNC1
InChIInChI=1S/C10H13NO3/c1-7-10(9(12)3-5-13-7)14-8-2-4-11-6-8/h3,5,8,11H,2,4,6H2,1H3
InChIKeyLXLDPAVVQIJCQH-UHFFFAOYSA-N
XLogP0.69
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Methylpyrrolidin-3-yl)oxycyclohexa-2,5-diene-1,4-dione
CID 69728904
2-Methyl-3-(2-pyrrolidin-1-ylethoxy)pyran-4-one
CID 82064657
2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
CID 82064658
3-Pyrrolidin-3-yloxypyran-4-one
CID 84657773
2-methyl-3-pyrrolidin-3-yloxy-1H-pyridin-4-one
CID 84665469
1,2-Dimethyl-3-pyrrolidin-3-yloxypyridin-4-one
CID 84676149
2-Methyl-3-(pyrrolidin-2-ylmethoxy)pyran-4-one
CID 84676763
2-Methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one
CID 84676764
1-(2,3-Dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone
CID 102652548

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrrolidin-3-yloxypyran-4-one?
The IUPAC name of 2-methyl-3-pyrrolidin-3-yloxypyran-4-one (CID 84666009) is 2-methyl-3-pyrrolidin-3-yloxypyran-4-one.
What is the SMILES notation for 2-methyl-3-pyrrolidin-3-yloxypyran-4-one?
The canonical SMILES for 2-methyl-3-pyrrolidin-3-yloxypyran-4-one is Cc1occc(=O)c1OC1CCNC1.
What is the InChIKey of 2-methyl-3-pyrrolidin-3-yloxypyran-4-one?
The InChIKey is LXLDPAVVQIJCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-10(9(12)3-5-13-7)14-8-2-4-11-6-8/h3,5,8,11H,2,4,6H2,1H3.
What are the key properties of 2-methyl-3-pyrrolidin-3-yloxypyran-4-one?
2-methyl-3-pyrrolidin-3-yloxypyran-4-one has a molecular weight of 195.22 g/mol, XLogP of 0.69, 2 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-yloxypyran-4-one is sourced from PubChem (CID 84666009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).