3-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione

C9H12N4O3 — CID 138466940

IUPAC3-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione
SMILESNCc1cn(C2CCC(=O)NC2=O)c(=O)[nH]1
InChIInChI=1S/C9H12N4O3/c10-3-5-4-13(9(16)11-5)6-1-2-7(14)12-8(6)15/h4,6H,1-3,10H2,(H,11,16)(H,12,14,15)
InChIKeyWUZUESXEOJPUGU-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.39
Rot. Bonds2

About 3-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione

3-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione (PubChem CID 138466940) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione
PubChem CID138466940
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name3-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione
SMILESNCc1cn(C2CCC(=O)NC2=O)c(=O)[nH]1
InChIInChI=1S/C9H12N4O3/c10-3-5-4-13(9(16)11-5)6-1-2-7(14)12-8(6)15/h4,6H,1-3,10H2,(H,11,16)(H,12,14,15)
InChIKeyWUZUESXEOJPUGU-UHFFFAOYSA-N
XLogP-1.39
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione (CID 138466940) is 3-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione is NCc1cn(C2CCC(=O)NC2=O)c(=O)[nH]1.
What is the InChIKey of 3-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione?
The InChIKey is WUZUESXEOJPUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-3-5-4-13(9(16)11-5)6-1-2-7(14)12-8(6)15/h4,6H,1-3,10H2,(H,11,16)(H,12,14,15).
What are the key properties of 3-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione?
3-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione has a molecular weight of 224.22 g/mol, XLogP of -1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 138466940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).