3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione

C11H13N3O2 — CID 66141887

IUPAC3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2cncn2C2CC2)C(=O)N1
InChIInChI=1S/C11H13N3O2/c15-10-4-7(11(16)13-10)3-9-5-12-6-14(9)8-1-2-8/h5-8H,1-4H2,(H,13,15,16)
InChIKeyGAWQHXHYMCSVEL-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.42
Rot. Bonds3

About 3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione

3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 66141887) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione
PubChem CID66141887
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2cncn2C2CC2)C(=O)N1
InChIInChI=1S/C11H13N3O2/c15-10-4-7(11(16)13-10)3-9-5-12-6-14(9)8-1-2-8/h5-8H,1-4H2,(H,13,15,16)
InChIKeyGAWQHXHYMCSVEL-UHFFFAOYSA-N
XLogP0.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
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 3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione (CID 66141887) is 3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione is O=C1CC(Cc2cncn2C2CC2)C(=O)N1.
What is the InChIKey of 3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is GAWQHXHYMCSVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-10-4-7(11(16)13-10)3-9-5-12-6-14(9)8-1-2-8/h5-8H,1-4H2,(H,13,15,16).
What are the key properties of 3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione?
3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 66141887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).