1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione

C12H12ClN3O2 — CID 121183872

IUPAC1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C1CN(c2ccc(Cl)cn2)C1
InChIInChI=1S/C12H12ClN3O2/c13-8-1-2-10(14-5-8)15-6-9(7-15)16-11(17)3-4-12(16)18/h1-2,5,9H,3-4,6-7H2
InChIKeyXONTVJOQNYPWFG-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.07
Rot. Bonds2

About 1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione

1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione (PubChem CID 121183872) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione
PubChem CID121183872
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C1CN(c2ccc(Cl)cn2)C1
InChIInChI=1S/C12H12ClN3O2/c13-8-1-2-10(14-5-8)15-6-9(7-15)16-11(17)3-4-12(16)18/h1-2,5,9H,3-4,6-7H2
InChIKeyXONTVJOQNYPWFG-UHFFFAOYSA-N
XLogP1.07
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione (CID 121183872) is 1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1C1CN(c2ccc(Cl)cn2)C1.
What is the InChIKey of 1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione?
The InChIKey is XONTVJOQNYPWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-8-1-2-10(14-5-8)15-6-9(7-15)16-11(17)3-4-12(16)18/h1-2,5,9H,3-4,6-7H2.
What are the key properties of 1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione?
1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione has a molecular weight of 265.70 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 121183872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).