1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one

C12H17N3O2 — CID 55140549

IUPAC1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(Cc2ccc(OC)nc2)C1=O
InChIInChI=1S/C12H17N3O2/c1-13-10-5-6-15(12(10)16)8-9-3-4-11(17-2)14-7-9/h3-4,7,10,13H,5-6,8H2,1-2H3
InChIKeyIIHRKMSRURMXIS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.41
Rot. Bonds4

About 1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one

1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one (PubChem CID 55140549) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one
PubChem CID55140549
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(Cc2ccc(OC)nc2)C1=O
InChIInChI=1S/C12H17N3O2/c1-13-10-5-6-15(12(10)16)8-9-3-4-11(17-2)14-7-9/h3-4,7,10,13H,5-6,8H2,1-2H3
InChIKeyIIHRKMSRURMXIS-UHFFFAOYSA-N
XLogP0.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one (CID 55140549) is 1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one is CNC1CCN(Cc2ccc(OC)nc2)C1=O.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one?
The InChIKey is IIHRKMSRURMXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-13-10-5-6-15(12(10)16)8-9-3-4-11(17-2)14-7-9/h3-4,7,10,13H,5-6,8H2,1-2H3.
What are the key properties of 1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one?
1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 55140549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).