2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one

C7H11NO2 — CID 138965474

IUPAC2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one
SMILESCC1=C(C)C(O)N(C)C1=O
InChIInChI=1S/C7H11NO2/c1-4-5(2)7(10)8(3)6(4)9/h6,9H,1-3H3
InChIKeyYOIHENQRXWYMTD-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.11
Rot. Bonds

About 2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one

2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one (PubChem CID 138965474) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one
PubChem CID138965474
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one
SMILESCC1=C(C)C(O)N(C)C1=O
InChIInChI=1S/C7H11NO2/c1-4-5(2)7(10)8(3)6(4)9/h6,9H,1-3H3
InChIKeyYOIHENQRXWYMTD-UHFFFAOYSA-N
XLogP0.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one (CID 138965474) is 2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one is CC1=C(C)C(O)N(C)C1=O.
What is the InChIKey of 2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one?
The InChIKey is YOIHENQRXWYMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-5(2)7(10)8(3)6(4)9/h6,9H,1-3H3.
What are the key properties of 2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one?
2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 138965474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).