1-(3-morpholin-4-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride

C10H16ClN3O4 — CID 71756377

IUPAC1-(3-morpholin-4-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride
SMILESCl.O=C1NC(=O)N(CCCN2CCOCC2)C1=O
InChIInChI=1S/C10H15N3O4.ClH/c14-8-9(15)13(10(16)11-8)3-1-2-12-4-6-17-7-5-12;/h1-7H2,(H,11,14,16);1H
InChIKeyGIEVQSAPTIBYEH-UHFFFAOYSA-N
MW277.71 g/mol
LogP-0.79
Rot. Bonds4

About 1-(3-morpholin-4-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride

1-(3-morpholin-4-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride (PubChem CID 71756377) has the molecular formula C10H16ClN3O4 and a molecular weight of 277.71 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride
PubChem CID71756377
Molecular FormulaC10H16ClN3O4
Molecular Weight277.71 g/mol
Exact Mass277.08
IUPAC Name1-(3-morpholin-4-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride
SMILESCl.O=C1NC(=O)N(CCCN2CCOCC2)C1=O
InChIInChI=1S/C10H15N3O4.ClH/c14-8-9(15)13(10(16)11-8)3-1-2-12-4-6-17-7-5-12;/h1-7H2,(H,11,14,16);1H
InChIKeyGIEVQSAPTIBYEH-UHFFFAOYSA-N
XLogP-0.79
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride (CID 71756377) is 1-(3-morpholin-4-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride is Cl.O=C1NC(=O)N(CCCN2CCOCC2)C1=O.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride?
The InChIKey is GIEVQSAPTIBYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4.ClH/c14-8-9(15)13(10(16)11-8)3-1-2-12-4-6-17-7-5-12;/h1-7H2,(H,11,14,16);1H.
What are the key properties of 1-(3-morpholin-4-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride?
1-(3-morpholin-4-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride has a molecular weight of 277.71 g/mol, XLogP of -0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride is sourced from PubChem (CID 71756377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).