1,3,4-trimethyl-5-methylidenepyridine-2,6-dione

C9H11NO2 — CID 20614767

IUPAC1,3,4-trimethyl-5-methylidenepyridine-2,6-dione
SMILESC=C1C(=O)N(C)C(=O)C(C)=C1C
InChIInChI=1S/C9H11NO2/c1-5-6(2)8(11)10(4)9(12)7(5)3/h2H2,1,3-4H3
InChIKeyZRICWKPCKQGONI-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.88
Rot. Bonds

About 1,3,4-trimethyl-5-methylidenepyridine-2,6-dione

1,3,4-trimethyl-5-methylidenepyridine-2,6-dione (PubChem CID 20614767) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-methylidenepyridine-2,6-dione.

Molecular Properties

Compound Name1,3,4-trimethyl-5-methylidenepyridine-2,6-dione
PubChem CID20614767
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1,3,4-trimethyl-5-methylidenepyridine-2,6-dione
SMILESC=C1C(=O)N(C)C(=O)C(C)=C1C
InChIInChI=1S/C9H11NO2/c1-5-6(2)8(11)10(4)9(12)7(5)3/h2H2,1,3-4H3
InChIKeyZRICWKPCKQGONI-UHFFFAOYSA-N
XLogP0.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethyl-5-methylidene-4-(trifluoromethyl)pyridine-2,6-dione
CID 53810611
1-Acetyl-3-ethyl-4-methyl-1H-pyrrol-2(5H)-one
CID 71391391
1-Acetyl-3-ethyl-5-fluoropyridin-2-one
CID 176905745
3-Tert-butyl-1-methylpyrrole-2,5-dione
CID 14736438
5-Ethylidene-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydro-pyridine-3-carbonitrile
CID 171037472
3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione
CID 20686788
3-(1-Fluoroprop-1-enyl)-1-methylpyrrole-2,5-dione
CID 20686793
5-Ethyl-1-methyl-2,3-dihydropyridin-6-one
CID 11007982
3-Ethyl-1,6-dimethylpyridin-2-one
CID 13597164
2,6(1H,3H)-Pyridinedione, 1,4-dimethyl-
CID 15179114
1-(2-Methylprop-2-enoyl)-2,3-dihydropyridin-6-one
CID 15204441
1,3,4,5-tetramethyl-3H-pyridine-2,6-dione
CID 18725077

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-5-methylidenepyridine-2,6-dione?
The IUPAC name of 1,3,4-trimethyl-5-methylidenepyridine-2,6-dione (CID 20614767) is 1,3,4-trimethyl-5-methylidenepyridine-2,6-dione.
What is the SMILES notation for 1,3,4-trimethyl-5-methylidenepyridine-2,6-dione?
The canonical SMILES for 1,3,4-trimethyl-5-methylidenepyridine-2,6-dione is C=C1C(=O)N(C)C(=O)C(C)=C1C.
What is the InChIKey of 1,3,4-trimethyl-5-methylidenepyridine-2,6-dione?
The InChIKey is ZRICWKPCKQGONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-5-6(2)8(11)10(4)9(12)7(5)3/h2H2,1,3-4H3.
What are the key properties of 1,3,4-trimethyl-5-methylidenepyridine-2,6-dione?
1,3,4-trimethyl-5-methylidenepyridine-2,6-dione has a molecular weight of 165.19 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-5-methylidenepyridine-2,6-dione is sourced from PubChem (CID 20614767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).