1,2-dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one

C12H18N2O2 — CID 84687734

IUPAC1,2-dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
SMILESCc1c(OCC2CCNC2)c(=O)ccn1C
InChIInChI=1S/C12H18N2O2/c1-9-12(11(15)4-6-14(9)2)16-8-10-3-5-13-7-10/h4,6,10,13H,3,5,7-8H2,1-2H3
InChIKeyTUNQSRJGCHOJQH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.68
Rot. Bonds3

About 1,2-dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one

1,2-dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one (PubChem CID 84687734) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,2-dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one.

Molecular Properties

Compound Name1,2-dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
PubChem CID84687734
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1,2-dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
SMILESCc1c(OCC2CCNC2)c(=O)ccn1C
InChIInChI=1S/C12H18N2O2/c1-9-12(11(15)4-6-14(9)2)16-8-10-3-5-13-7-10/h4,6,10,13H,3,5,7-8H2,1-2H3
InChIKeyTUNQSRJGCHOJQH-UHFFFAOYSA-N
XLogP0.68
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Aminopropyl)-3-butoxy-2-methylpyridin-4-one
CID 124190389
2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one
CID 82064616
2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
CID 82064658
3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one
CID 82064671
2-methyl-3-pyrrolidin-3-yloxy-1H-pyridin-4-one
CID 84665469
3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one
CID 84665474
1,2-Dimethyl-3-pyrrolidin-3-yloxypyridin-4-one
CID 84676149
2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one
CID 84676156
1-Methyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
CID 84676157
2-Methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one
CID 84676764
2-methyl-3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one
CID 84687739
1-Cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one
CID 84697697

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one?
The IUPAC name of 1,2-dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one (CID 84687734) is 1,2-dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one.
What is the SMILES notation for 1,2-dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one?
The canonical SMILES for 1,2-dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one is Cc1c(OCC2CCNC2)c(=O)ccn1C.
What is the InChIKey of 1,2-dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one?
The InChIKey is TUNQSRJGCHOJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-12(11(15)4-6-14(9)2)16-8-10-3-5-13-7-10/h4,6,10,13H,3,5,7-8H2,1-2H3.
What are the key properties of 1,2-dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one?
1,2-dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one has a molecular weight of 222.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one is sourced from PubChem (CID 84687734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).