1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one

C11H13N3O — CID 134306065

IUPAC1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one
SMILESCc1cc(-c2nccn2C)cn(C)c1=O
InChIInChI=1S/C11H13N3O/c1-8-6-9(7-14(3)11(8)15)10-12-4-5-13(10)2/h4-7H,1-3H3
InChIKeyDDMVDEWQZGDNSJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.09
Rot. Bonds1

About 1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one

1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one (PubChem CID 134306065) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one
PubChem CID134306065
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one
SMILESCc1cc(-c2nccn2C)cn(C)c1=O
InChIInChI=1S/C11H13N3O/c1-8-6-9(7-14(3)11(8)15)10-12-4-5-13(10)2/h4-7H,1-3H3
InChIKeyDDMVDEWQZGDNSJ-UHFFFAOYSA-N
XLogP1.09
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one (CID 134306065) is 1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one is Cc1cc(-c2nccn2C)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one?
The InChIKey is DDMVDEWQZGDNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-6-9(7-14(3)11(8)15)10-12-4-5-13(10)2/h4-7H,1-3H3.
What are the key properties of 1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one?
1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one is sourced from PubChem (CID 134306065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).