3-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-5-one

C8H13NO2 — CID 69067127

IUPAC3-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)C1C(O)=CC(=O)N1C
InChIInChI=1S/C8H13NO2/c1-5(2)8-6(10)4-7(11)9(8)3/h4-5,8,10H,1-3H3
InChIKeyIZDLHBLDNIMVQE-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.92
Rot. Bonds1

About 3-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-5-one

3-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-5-one (PubChem CID 69067127) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-5-one
PubChem CID69067127
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)C1C(O)=CC(=O)N1C
InChIInChI=1S/C8H13NO2/c1-5(2)8-6(10)4-7(11)9(8)3/h4-5,8,10H,1-3H3
InChIKeyIZDLHBLDNIMVQE-UHFFFAOYSA-N
XLogP0.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-5-one (CID 69067127) is 3-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-5-one is CC(C)C1C(O)=CC(=O)N1C.
What is the InChIKey of 3-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is IZDLHBLDNIMVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)8-6(10)4-7(11)9(8)3/h4-5,8,10H,1-3H3.
What are the key properties of 3-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-5-one?
3-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 69067127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).