1,4,5-trimethyl-3-methylidenepyrrol-2-one

C8H11NO — CID 20614774

IUPAC1,4,5-trimethyl-3-methylidenepyrrol-2-one
SMILESC=C1C(=O)N(C)C(C)=C1C
InChIInChI=1S/C8H11NO/c1-5-6(2)8(10)9(4)7(5)3/h2H2,1,3-4H3
InChIKeyPZQJBFSNUCLONO-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.31
Rot. Bonds

About 1,4,5-trimethyl-3-methylidenepyrrol-2-one

1,4,5-trimethyl-3-methylidenepyrrol-2-one (PubChem CID 20614774) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1,4,5-trimethyl-3-methylidenepyrrol-2-one.

Molecular Properties

Compound Name1,4,5-trimethyl-3-methylidenepyrrol-2-one
PubChem CID20614774
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1,4,5-trimethyl-3-methylidenepyrrol-2-one
SMILESC=C1C(=O)N(C)C(C)=C1C
InChIInChI=1S/C8H11NO/c1-5-6(2)8(10)9(4)7(5)3/h2H2,1,3-4H3
InChIKeyPZQJBFSNUCLONO-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,3,4,5,6-Pentamethyl-2(1H)-pyridinone
CID 586035
1,4-Dimethyl-5-propan-2-ylidenepyrrol-2-one
CID 134831218
3-Ethyl-1,6-dimethylpyridin-2-one
CID 13597164
1,3,4-Trimethyl-5-methylidenepyridine-2,6-dione
CID 20614767
1,3,4-Trimethyl-5-propan-2-ylidenepyrrol-2-one
CID 20695518
1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one
CID 20696656
1,4,5-trimethyl-3H-pyrrol-2-one
CID 23569791
1,3,5,6-Tetramethylpyridin-2-one
CID 58610345
1,3-Diethyl-6-methylpyridin-2-one
CID 59678204
1,3,4-Trimethyl-5-methylidenepyrrol-2-one
CID 59932919
1-Butyl-6-ethyl-3,5-dimethylpyridin-2-one
CID 68167464
1,6-Dimethyl-3-propan-2-ylpyridin-2-one
CID 68210049

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-3-methylidenepyrrol-2-one?
The IUPAC name of 1,4,5-trimethyl-3-methylidenepyrrol-2-one (CID 20614774) is 1,4,5-trimethyl-3-methylidenepyrrol-2-one.
What is the SMILES notation for 1,4,5-trimethyl-3-methylidenepyrrol-2-one?
The canonical SMILES for 1,4,5-trimethyl-3-methylidenepyrrol-2-one is C=C1C(=O)N(C)C(C)=C1C.
What is the InChIKey of 1,4,5-trimethyl-3-methylidenepyrrol-2-one?
The InChIKey is PZQJBFSNUCLONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-6(2)8(10)9(4)7(5)3/h2H2,1,3-4H3.
What are the key properties of 1,4,5-trimethyl-3-methylidenepyrrol-2-one?
1,4,5-trimethyl-3-methylidenepyrrol-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-3-methylidenepyrrol-2-one is sourced from PubChem (CID 20614774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).