5-(aminomethyl)imidazolidine-2,4-dione;hydrochloride

C4H8ClN3O2 — CID 162308639

IUPAC5-(aminomethyl)imidazolidine-2,4-dione;hydrochloride
SMILESCl.NCC1NC(=O)NC1=O
InChIInChI=1S/C4H7N3O2.ClH/c5-1-2-3(8)7-4(9)6-2;/h2H,1,5H2,(H2,6,7,8,9);1H
InChIKeyXNUWFXSMLYVGPB-UHFFFAOYSA-N
MW165.58 g/mol
LogP-1.43
Rot. Bonds1

About 5-(aminomethyl)imidazolidine-2,4-dione;hydrochloride

5-(aminomethyl)imidazolidine-2,4-dione;hydrochloride (PubChem CID 162308639) has the molecular formula C4H8ClN3O2 and a molecular weight of 165.58 g/mol. Its IUPAC name is 5-(aminomethyl)imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)imidazolidine-2,4-dione;hydrochloride
PubChem CID162308639
Molecular FormulaC4H8ClN3O2
Molecular Weight165.58 g/mol
Exact Mass165.03
IUPAC Name5-(aminomethyl)imidazolidine-2,4-dione;hydrochloride
SMILESCl.NCC1NC(=O)NC1=O
InChIInChI=1S/C4H7N3O2.ClH/c5-1-2-3(8)7-4(9)6-2;/h2H,1,5H2,(H2,6,7,8,9);1H
InChIKeyXNUWFXSMLYVGPB-UHFFFAOYSA-N
XLogP-1.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.58
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
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 5-(aminomethyl)imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5-(aminomethyl)imidazolidine-2,4-dione;hydrochloride (CID 162308639) is 5-(aminomethyl)imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-(aminomethyl)imidazolidine-2,4-dione;hydrochloride is Cl.NCC1NC(=O)NC1=O.
What is the InChIKey of 5-(aminomethyl)imidazolidine-2,4-dione;hydrochloride?
The InChIKey is XNUWFXSMLYVGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2.ClH/c5-1-2-3(8)7-4(9)6-2;/h2H,1,5H2,(H2,6,7,8,9);1H.
What are the key properties of 5-(aminomethyl)imidazolidine-2,4-dione;hydrochloride?
5-(aminomethyl)imidazolidine-2,4-dione;hydrochloride has a molecular weight of 165.58 g/mol, XLogP of -1.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 162308639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).