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

C12H18N2O2 — CID 84687733

IUPAC1,2-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one
SMILESCc1c(OCC2CCCN2)c(=O)ccn1C
InChIInChI=1S/C12H18N2O2/c1-9-12(11(15)5-7-14(9)2)16-8-10-4-3-6-13-10/h5,7,10,13H,3-4,6,8H2,1-2H3
InChIKeyKAPCNMVTULQKPT-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.82
Rot. Bonds3

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

1,2-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one (PubChem CID 84687733) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,2-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one.

Molecular Properties

Compound Name1,2-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one
PubChem CID84687733
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1,2-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one
SMILESCc1c(OCC2CCCN2)c(=O)ccn1C
InChIInChI=1S/C12H18N2O2/c1-9-12(11(15)5-7-14(9)2)16-8-10-4-3-6-13-10/h5,7,10,13H,3-4,6,8H2,1-2H3
InChIKeyKAPCNMVTULQKPT-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one?
The IUPAC name of 1,2-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one (CID 84687733) is 1,2-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one.
What is the SMILES notation for 1,2-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one?
The canonical SMILES for 1,2-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one is Cc1c(OCC2CCCN2)c(=O)ccn1C.
What is the InChIKey of 1,2-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one?
The InChIKey is KAPCNMVTULQKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-12(11(15)5-7-14(9)2)16-8-10-4-3-6-13-10/h5,7,10,13H,3-4,6,8H2,1-2H3.
What are the key properties of 1,2-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one?
1,2-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one has a molecular weight of 222.29 g/mol, XLogP of 0.82, 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-2-ylmethoxy)pyridin-4-one is sourced from PubChem (CID 84687733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).