4-hydroxy-1,3,5,5-tetramethylpyrrol-2-one

C8H13NO2 — CID 90349418

IUPAC4-hydroxy-1,3,5,5-tetramethylpyrrol-2-one
SMILESCC1=C(O)C(C)(C)N(C)C1=O
InChIInChI=1S/C8H13NO2/c1-5-6(10)8(2,3)9(4)7(5)11/h10H,1-4H3
InChIKeyBUFWOGFGAKZQPA-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.07
Rot. Bonds

About 4-hydroxy-1,3,5,5-tetramethylpyrrol-2-one

4-hydroxy-1,3,5,5-tetramethylpyrrol-2-one (PubChem CID 90349418) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-hydroxy-1,3,5,5-tetramethylpyrrol-2-one.

Molecular Properties

Compound Name4-hydroxy-1,3,5,5-tetramethylpyrrol-2-one
PubChem CID90349418
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-hydroxy-1,3,5,5-tetramethylpyrrol-2-one
SMILESCC1=C(O)C(C)(C)N(C)C1=O
InChIInChI=1S/C8H13NO2/c1-5-6(10)8(2,3)9(4)7(5)11/h10H,1-4H3
InChIKeyBUFWOGFGAKZQPA-UHFFFAOYSA-N
XLogP1.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3,5,5-tetramethylpyrrol-2-one?
The IUPAC name of 4-hydroxy-1,3,5,5-tetramethylpyrrol-2-one (CID 90349418) is 4-hydroxy-1,3,5,5-tetramethylpyrrol-2-one.
What is the SMILES notation for 4-hydroxy-1,3,5,5-tetramethylpyrrol-2-one?
The canonical SMILES for 4-hydroxy-1,3,5,5-tetramethylpyrrol-2-one is CC1=C(O)C(C)(C)N(C)C1=O.
What is the InChIKey of 4-hydroxy-1,3,5,5-tetramethylpyrrol-2-one?
The InChIKey is BUFWOGFGAKZQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-6(10)8(2,3)9(4)7(5)11/h10H,1-4H3.
What are the key properties of 4-hydroxy-1,3,5,5-tetramethylpyrrol-2-one?
4-hydroxy-1,3,5,5-tetramethylpyrrol-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3,5,5-tetramethylpyrrol-2-one is sourced from PubChem (CID 90349418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).