1,2-dimethyl-2H-pyridine-3,6-dione

C7H9NO2 — CID 174843898

IUPAC1,2-dimethyl-2H-pyridine-3,6-dione
SMILESCC1C(=O)C=CC(=O)N1C
InChIInChI=1S/C7H9NO2/c1-5-6(9)3-4-7(10)8(5)2/h3-5H,1-2H3
InChIKeyBYNMDVHKJMYIMY-UHFFFAOYSA-N
MW139.15 g/mol
LogP-0.03
Rot. Bonds

About 1,2-dimethyl-2H-pyridine-3,6-dione

1,2-dimethyl-2H-pyridine-3,6-dione (PubChem CID 174843898) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1,2-dimethyl-2H-pyridine-3,6-dione.

Molecular Properties

Compound Name1,2-dimethyl-2H-pyridine-3,6-dione
PubChem CID174843898
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1,2-dimethyl-2H-pyridine-3,6-dione
SMILESCC1C(=O)C=CC(=O)N1C
InChIInChI=1S/C7H9NO2/c1-5-6(9)3-4-7(10)8(5)2/h3-5H,1-2H3
InChIKeyBYNMDVHKJMYIMY-UHFFFAOYSA-N
XLogP-0.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,2-dimethyl-2,3-dihydropyridin-6-one
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(2S,3S)-2,3-dihydroxy-1-methyl-2,3-dihydropyridin-6-one
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1,3-dimethyl-2,3-dihydropyridin-4-one
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1-methyl-2-propyl-2H-pyrrol-5-one
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diiodovanadium;1-methylpyrrole-2,5-dione
CID 162217566
2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione
CID 173366384
1-butylpyrrole-2,5-dione;silane
CID 160820729
1-(1-propylazetidin-3-yl)pyrrole-2,5-dione
CID 131043117
1,2,3,6-tetramethyl-2,3-dihydropyridin-4-one
CID 54403371
(5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione
CID 89001782

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2H-pyridine-3,6-dione?
The IUPAC name of 1,2-dimethyl-2H-pyridine-3,6-dione (CID 174843898) is 1,2-dimethyl-2H-pyridine-3,6-dione.
What is the SMILES notation for 1,2-dimethyl-2H-pyridine-3,6-dione?
The canonical SMILES for 1,2-dimethyl-2H-pyridine-3,6-dione is CC1C(=O)C=CC(=O)N1C.
What is the InChIKey of 1,2-dimethyl-2H-pyridine-3,6-dione?
The InChIKey is BYNMDVHKJMYIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-6(9)3-4-7(10)8(5)2/h3-5H,1-2H3.
What are the key properties of 1,2-dimethyl-2H-pyridine-3,6-dione?
1,2-dimethyl-2H-pyridine-3,6-dione has a molecular weight of 139.15 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2H-pyridine-3,6-dione is sourced from PubChem (CID 174843898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).