2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one

C10H17NO2 — CID 90996819

IUPAC2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one
SMILESCC(C)C1=CC(O)N(C(C)C)C1=O
InChIInChI=1S/C10H17NO2/c1-6(2)8-5-9(12)11(7(3)4)10(8)13/h5-7,9,12H,1-4H3
InChIKeyZAZYQLSSDPQZQJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.14
Rot. Bonds2

About 2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one

2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one (PubChem CID 90996819) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one
PubChem CID90996819
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one
SMILESCC(C)C1=CC(O)N(C(C)C)C1=O
InChIInChI=1S/C10H17NO2/c1-6(2)8-5-9(12)11(7(3)4)10(8)13/h5-7,9,12H,1-4H3
InChIKeyZAZYQLSSDPQZQJ-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Hydroxymethyl)-3-propan-2-ylpyrrole-2,5-dione
CID 20256456
(2S)-1-[(2S)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidin-1-yl]-2-methylpent-4-en-1-one
CID 58545175
2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one
CID 123934489
4-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one
CID 135170551
2-hydroxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one
CID 135170599
2-hydroxy-1-methyl-4-propan-2-yl-2H-pyrrol-5-one
CID 135170663
4-tert-butyl-2-hydroxy-1-methyl-2H-pyrrol-5-one
CID 135170716
2-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one
CID 141629220
1-butan-2-yl-2-hydroxy-4-(1-hydroxy-2-methylpropyl)-2H-pyrrol-5-one
CID 166766249
3-(1-Hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione
CID 166766287
3-ethyl-2-hydroxy-1-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 101775508

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one (CID 90996819) is 2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one is CC(C)C1=CC(O)N(C(C)C)C1=O.
What is the InChIKey of 2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one?
The InChIKey is ZAZYQLSSDPQZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6(2)8-5-9(12)11(7(3)4)10(8)13/h5-7,9,12H,1-4H3.
What are the key properties of 2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one?
2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one has a molecular weight of 183.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 90996819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).