5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione

C9H12N4O2 — CID 82283640

IUPAC5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione
SMILESCn1ccc(C2(CN)NC(=O)NC2=O)c1
InChIInChI=1S/C9H12N4O2/c1-13-3-2-6(4-13)9(5-10)7(14)11-8(15)12-9/h2-4H,5,10H2,1H3,(H2,11,12,14,15)
InChIKeyJODFXFMQCIMVGY-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.98
Rot. Bonds2

About 5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione

5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione (PubChem CID 82283640) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione
PubChem CID82283640
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione
SMILESCn1ccc(C2(CN)NC(=O)NC2=O)c1
InChIInChI=1S/C9H12N4O2/c1-13-3-2-6(4-13)9(5-10)7(14)11-8(15)12-9/h2-4H,5,10H2,1H3,(H2,11,12,14,15)
InChIKeyJODFXFMQCIMVGY-UHFFFAOYSA-N
XLogP-0.98
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione (CID 82283640) is 5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione is Cn1ccc(C2(CN)NC(=O)NC2=O)c1.
What is the InChIKey of 5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione?
The InChIKey is JODFXFMQCIMVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-13-3-2-6(4-13)9(5-10)7(14)11-8(15)12-9/h2-4H,5,10H2,1H3,(H2,11,12,14,15).
What are the key properties of 5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione?
5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione has a molecular weight of 208.22 g/mol, XLogP of -0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 82283640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).