2-methoxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one

C12H14N2O2 — CID 102478502

IUPAC2-methoxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one
SMILESCOC1C(C)=C(C)C(=O)N1c1ccccn1
InChIInChI=1S/C12H14N2O2/c1-8-9(2)12(16-3)14(11(8)15)10-6-4-5-7-13-10/h4-7,12H,1-3H3
InChIKeyJCVJYLDPUDUWDS-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.74
Rot. Bonds2

About 2-methoxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one

2-methoxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 102478502) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-methoxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-methoxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID102478502
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-methoxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one
SMILESCOC1C(C)=C(C)C(=O)N1c1ccccn1
InChIInChI=1S/C12H14N2O2/c1-8-9(2)12(16-3)14(11(8)15)10-6-4-5-7-13-10/h4-7,12H,1-3H3
InChIKeyJCVJYLDPUDUWDS-UHFFFAOYSA-N
XLogP1.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 2-methoxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one (CID 102478502) is 2-methoxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 2-methoxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 2-methoxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one is COC1C(C)=C(C)C(=O)N1c1ccccn1.
What is the InChIKey of 2-methoxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is JCVJYLDPUDUWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-9(2)12(16-3)14(11(8)15)10-6-4-5-7-13-10/h4-7,12H,1-3H3.
What are the key properties of 2-methoxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one?
2-methoxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 218.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 102478502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).