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

C8H11NO — CID 59932919

IUPAC1,3,4-trimethyl-5-methylidenepyrrol-2-one
SMILESC=C1C(C)=C(C)C(=O)N1C
InChIInChI=1S/C8H11NO/c1-5-6(2)8(10)9(4)7(5)3/h3H2,1-2,4H3
InChIKeyYKLBRFYYVJGYEF-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.31
Rot. Bonds

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

1,3,4-trimethyl-5-methylidenepyrrol-2-one (PubChem CID 59932919) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name1,3,4-trimethyl-5-methylidenepyrrol-2-one
PubChem CID59932919
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1,3,4-trimethyl-5-methylidenepyrrol-2-one
SMILESC=C1C(C)=C(C)C(=O)N1C
InChIInChI=1S/C8H11NO/c1-5-6(2)8(10)9(4)7(5)3/h3H2,1-2,4H3
InChIKeyYKLBRFYYVJGYEF-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

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-5-methylidenepyrrol-2-one?
The IUPAC name of 1,3,4-trimethyl-5-methylidenepyrrol-2-one (CID 59932919) is 1,3,4-trimethyl-5-methylidenepyrrol-2-one.
What is the SMILES notation for 1,3,4-trimethyl-5-methylidenepyrrol-2-one?
The canonical SMILES for 1,3,4-trimethyl-5-methylidenepyrrol-2-one is C=C1C(C)=C(C)C(=O)N1C.
What is the InChIKey of 1,3,4-trimethyl-5-methylidenepyrrol-2-one?
The InChIKey is YKLBRFYYVJGYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-6(2)8(10)9(4)7(5)3/h3H2,1-2,4H3.
What are the key properties of 1,3,4-trimethyl-5-methylidenepyrrol-2-one?
1,3,4-trimethyl-5-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 1,3,4-trimethyl-5-methylidenepyrrol-2-one is sourced from PubChem (CID 59932919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).