1,2,3-trimethyl-2H-pyrrol-5-one

C7H11NO — CID 45087240

IUPAC1,2,3-trimethyl-2H-pyrrol-5-one
SMILESCC1=CC(=O)N(C)C1C
InChIInChI=1S/C7H11NO/c1-5-4-7(9)8(3)6(5)2/h4,6H,1-3H3
InChIKeyMUGJZBZASGRYSZ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.79
Rot. Bonds

About 1,2,3-trimethyl-2H-pyrrol-5-one

1,2,3-trimethyl-2H-pyrrol-5-one (PubChem CID 45087240) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,2,3-trimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1,2,3-trimethyl-2H-pyrrol-5-one
PubChem CID45087240
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1,2,3-trimethyl-2H-pyrrol-5-one
SMILESCC1=CC(=O)N(C)C1C
InChIInChI=1S/C7H11NO/c1-5-4-7(9)8(3)6(5)2/h4,6H,1-3H3
InChIKeyMUGJZBZASGRYSZ-UHFFFAOYSA-N
XLogP0.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-2H-pyrrol-5-one?
The IUPAC name of 1,2,3-trimethyl-2H-pyrrol-5-one (CID 45087240) is 1,2,3-trimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 1,2,3-trimethyl-2H-pyrrol-5-one?
The canonical SMILES for 1,2,3-trimethyl-2H-pyrrol-5-one is CC1=CC(=O)N(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-2H-pyrrol-5-one?
The InChIKey is MUGJZBZASGRYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-4-7(9)8(3)6(5)2/h4,6H,1-3H3.
What are the key properties of 1,2,3-trimethyl-2H-pyrrol-5-one?
1,2,3-trimethyl-2H-pyrrol-5-one has a molecular weight of 125.17 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 45087240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).