1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione

C8H13NO3 — CID 57398560

IUPAC1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione
SMILESCC[C@H](CO)N1C(=O)CCC1=O
InChIInChI=1S/C8H13NO3/c1-2-6(5-10)9-7(11)3-4-8(9)12/h6,10H,2-5H2,1H3/t6-/m1/s1
InChIKeyRGNZYGYATZMUSR-ZCFIWIBFSA-N
MW171.20 g/mol
LogP-0.09
Rot. Bonds3

About 1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione

1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione (PubChem CID 57398560) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione
PubChem CID57398560
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione
SMILESCC[C@H](CO)N1C(=O)CCC1=O
InChIInChI=1S/C8H13NO3/c1-2-6(5-10)9-7(11)3-4-8(9)12/h6,10H,2-5H2,1H3/t6-/m1/s1
InChIKeyRGNZYGYATZMUSR-ZCFIWIBFSA-N
XLogP-0.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
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 1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione (CID 57398560) is 1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione is CC[C@H](CO)N1C(=O)CCC1=O.
What is the InChIKey of 1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione?
The InChIKey is RGNZYGYATZMUSR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-6(5-10)9-7(11)3-4-8(9)12/h6,10H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione?
1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione has a molecular weight of 171.20 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 57398560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).