3-(1-hydroxypropyl)pyrrolidine-2,5-dione

C7H11NO3 — CID 19380793

IUPAC3-(1-hydroxypropyl)pyrrolidine-2,5-dione
SMILESCCC(O)C1CC(=O)NC1=O
InChIInChI=1S/C7H11NO3/c1-2-5(9)4-3-6(10)8-7(4)11/h4-5,9H,2-3H2,1H3,(H,8,10,11)
InChIKeyKFTODKISCNHADD-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.58
Rot. Bonds2

About 3-(1-hydroxypropyl)pyrrolidine-2,5-dione

3-(1-hydroxypropyl)pyrrolidine-2,5-dione (PubChem CID 19380793) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(1-hydroxypropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-hydroxypropyl)pyrrolidine-2,5-dione
PubChem CID19380793
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-(1-hydroxypropyl)pyrrolidine-2,5-dione
SMILESCCC(O)C1CC(=O)NC1=O
InChIInChI=1S/C7H11NO3/c1-2-5(9)4-3-6(10)8-7(4)11/h4-5,9H,2-3H2,1H3,(H,8,10,11)
InChIKeyKFTODKISCNHADD-UHFFFAOYSA-N
XLogP-0.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(1-hydroxypropyl)pyrrolidine-2,5-dione (CID 19380793) is 3-(1-hydroxypropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-hydroxypropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-hydroxypropyl)pyrrolidine-2,5-dione is CCC(O)C1CC(=O)NC1=O.
What is the InChIKey of 3-(1-hydroxypropyl)pyrrolidine-2,5-dione?
The InChIKey is KFTODKISCNHADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-5(9)4-3-6(10)8-7(4)11/h4-5,9H,2-3H2,1H3,(H,8,10,11).
What are the key properties of 3-(1-hydroxypropyl)pyrrolidine-2,5-dione?
3-(1-hydroxypropyl)pyrrolidine-2,5-dione has a molecular weight of 157.17 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 19380793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).