1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione

C13H15N3O2 — CID 121183869

IUPAC1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione
SMILESCc1ccnc(N2CC(N3C(=O)CCC3=O)C2)c1
InChIInChI=1S/C13H15N3O2/c1-9-4-5-14-11(6-9)15-7-10(8-15)16-12(17)2-3-13(16)18/h4-6,10H,2-3,7-8H2,1H3
InChIKeyBRYIBCULZZJCNZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.73
Rot. Bonds2

About 1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione

1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione (PubChem CID 121183869) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione
PubChem CID121183869
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione
SMILESCc1ccnc(N2CC(N3C(=O)CCC3=O)C2)c1
InChIInChI=1S/C13H15N3O2/c1-9-4-5-14-11(6-9)15-7-10(8-15)16-12(17)2-3-13(16)18/h4-6,10H,2-3,7-8H2,1H3
InChIKeyBRYIBCULZZJCNZ-UHFFFAOYSA-N
XLogP0.73
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.73
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-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione (CID 121183869) is 1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione is Cc1ccnc(N2CC(N3C(=O)CCC3=O)C2)c1.
What is the InChIKey of 1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione?
The InChIKey is BRYIBCULZZJCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-4-5-14-11(6-9)15-7-10(8-15)16-12(17)2-3-13(16)18/h4-6,10H,2-3,7-8H2,1H3.
What are the key properties of 1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione?
1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione has a molecular weight of 245.28 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 121183869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).