4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one

C11H15N3O2 — CID 15712522

IUPAC4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one
SMILESCOC1=CC(=O)N(Cc2nc[nH]c2C)CC1
InChIInChI=1S/C11H15N3O2/c1-8-10(13-7-12-8)6-14-4-3-9(16-2)5-11(14)15/h5,7H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyQFWOUAIMJBOPCT-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.98
Rot. Bonds3

About 4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one

4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one (PubChem CID 15712522) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one
PubChem CID15712522
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one
SMILESCOC1=CC(=O)N(Cc2nc[nH]c2C)CC1
InChIInChI=1S/C11H15N3O2/c1-8-10(13-7-12-8)6-14-4-3-9(16-2)5-11(14)15/h5,7H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyQFWOUAIMJBOPCT-UHFFFAOYSA-N
XLogP0.98
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one (CID 15712522) is 4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one is COC1=CC(=O)N(Cc2nc[nH]c2C)CC1.
What is the InChIKey of 4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one?
The InChIKey is QFWOUAIMJBOPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-10(13-7-12-8)6-14-4-3-9(16-2)5-11(14)15/h5,7H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of 4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one?
4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 15712522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).