1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione

C11H14N2O2 — CID 67920538

IUPAC1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC#C[C@H]1CCCN1
InChIInChI=1S/C11H14N2O2/c14-10-5-6-11(15)13(10)8-2-4-9-3-1-7-12-9/h9,12H,1,3,5-8H2/t9-/m1/s1
InChIKeyWLFTYODILACYRB-SECBINFHSA-N
MW206.24 g/mol
LogP-0.11
Rot. Bonds1

About 1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione

1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione (PubChem CID 67920538) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione
PubChem CID67920538
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC#C[C@H]1CCCN1
InChIInChI=1S/C11H14N2O2/c14-10-5-6-11(15)13(10)8-2-4-9-3-1-7-12-9/h9,12H,1,3,5-8H2/t9-/m1/s1
InChIKeyWLFTYODILACYRB-SECBINFHSA-N
XLogP-0.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione (CID 67920538) is 1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CC#C[C@H]1CCCN1.
What is the InChIKey of 1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione?
The InChIKey is WLFTYODILACYRB-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-10-5-6-11(15)13(10)8-2-4-9-3-1-7-12-9/h9,12H,1,3,5-8H2/t9-/m1/s1.
What are the key properties of 1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione?
1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione has a molecular weight of 206.24 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 67920538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).