3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione

C15H17N3O3 — CID 18135535

IUPAC3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C(c1ccccc1CN1C(=O)CNC1=O)N1CCCC1
InChIInChI=1S/C15H17N3O3/c19-13-9-16-15(21)18(13)10-11-5-1-2-6-12(11)14(20)17-7-3-4-8-17/h1-2,5-6H,3-4,7-10H2,(H,16,21)
InChIKeyGXLCCFCBNGMORU-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.97
Rot. Bonds3

About 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione

3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 18135535) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID18135535
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C(c1ccccc1CN1C(=O)CNC1=O)N1CCCC1
InChIInChI=1S/C15H17N3O3/c19-13-9-16-15(21)18(13)10-11-5-1-2-6-12(11)14(20)17-7-3-4-8-17/h1-2,5-6H,3-4,7-10H2,(H,16,21)
InChIKeyGXLCCFCBNGMORU-UHFFFAOYSA-N
XLogP0.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione (CID 18135535) is 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione is O=C(c1ccccc1CN1C(=O)CNC1=O)N1CCCC1.
What is the InChIKey of 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is GXLCCFCBNGMORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-13-9-16-15(21)18(13)10-11-5-1-2-6-12(11)14(20)17-7-3-4-8-17/h1-2,5-6H,3-4,7-10H2,(H,16,21).
What are the key properties of 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 287.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 18135535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).