3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione

C7H11NO3 — CID 59887449

IUPAC3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1C(=O)NC(=O)C1O
InChIInChI=1S/C7H11NO3/c1-3(2)4-5(9)7(11)8-6(4)10/h3-5,9H,1-2H3,(H,8,10,11)
InChIKeyBMMBPTBVAOLTOZ-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.72
Rot. Bonds1

About 3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione

3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 59887449) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione
PubChem CID59887449
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1C(=O)NC(=O)C1O
InChIInChI=1S/C7H11NO3/c1-3(2)4-5(9)7(11)8-6(4)10/h3-5,9H,1-2H3,(H,8,10,11)
InChIKeyBMMBPTBVAOLTOZ-UHFFFAOYSA-N
XLogP-0.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione
CID 126575623
5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one
CID 167693659
(4S,5R)-5-hydroxy-2,3-dimethyl-4-propan-2-ylcyclopent-2-en-1-one
CID 102481196
2-methylidene-5-propan-2-yl-1,3-oxazolidin-4-one
CID 58130152
4-methoxy-3-propan-2-ylpiperidine-2,6-dione
CID 167008611
4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one
CID 144843383
(5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione
CID 131118895
(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one
CID 59706724
4-phenyl-3-propan-2-ylpiperidine-2,6-dione
CID 79321338
(3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one
CID 92979432
4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one
CID 75089010
3,4-dimethylpyrrolidine-2,5-dione
CID 3550866

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione (CID 59887449) is 3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1C(=O)NC(=O)C1O.
What is the InChIKey of 3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is BMMBPTBVAOLTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3(2)4-5(9)7(11)8-6(4)10/h3-5,9H,1-2H3,(H,8,10,11).
What are the key properties of 3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione?
3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 157.17 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 59887449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).