chloroalumane;(2,5-dioxoimidazolidin-4-yl)urea;hydrate

C4H10AlClN4O4 — CID 174561260

IUPACchloroalumane;(2,5-dioxoimidazolidin-4-yl)urea;hydrate
SMILESNC(=O)NC1NC(=O)NC1=O.O.[AlH2]Cl
InChIInChI=1S/C4H6N4O3.Al.ClH.H2O.2H/c5-3(10)6-1-2(9)8-4(11)7-1;;;;;/h1H,(H3,5,6,10)(H2,7,8,9,11);;1H;1H2;;/q;+1;;;;/p-1
InChIKeyFZNMAXBAMYHLRV-UHFFFAOYSA-M
MW240.58 g/mol
LogP-3.23
Rot. Bonds1

About chloroalumane;(2,5-dioxoimidazolidin-4-yl)urea;hydrate

chloroalumane;(2,5-dioxoimidazolidin-4-yl)urea;hydrate (PubChem CID 174561260) has the molecular formula C4H10AlClN4O4 and a molecular weight of 240.58 g/mol. Its IUPAC name is chloroalumane;(2,5-dioxoimidazolidin-4-yl)urea;hydrate.

Molecular Properties

Compound Namechloroalumane;(2,5-dioxoimidazolidin-4-yl)urea;hydrate
PubChem CID174561260
Molecular FormulaC4H10AlClN4O4
Molecular Weight240.58 g/mol
Exact Mass240.02
IUPAC Namechloroalumane;(2,5-dioxoimidazolidin-4-yl)urea;hydrate
SMILESNC(=O)NC1NC(=O)NC1=O.O.[AlH2]Cl
InChIInChI=1S/C4H6N4O3.Al.ClH.H2O.2H/c5-3(10)6-1-2(9)8-4(11)7-1;;;;;/h1H,(H3,5,6,10)(H2,7,8,9,11);;1H;1H2;;/q;+1;;;;/p-1
InChIKeyFZNMAXBAMYHLRV-UHFFFAOYSA-M
XLogP-3.23
TPSA144.82 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.58
LogP ≤ 5-3.23
H-Bond Donors ≤ 54
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 chloroalumane;(2,5-dioxoimidazolidin-4-yl)urea;hydrate?
The IUPAC name of chloroalumane;(2,5-dioxoimidazolidin-4-yl)urea;hydrate (CID 174561260) is chloroalumane;(2,5-dioxoimidazolidin-4-yl)urea;hydrate.
What is the SMILES notation for chloroalumane;(2,5-dioxoimidazolidin-4-yl)urea;hydrate?
The canonical SMILES for chloroalumane;(2,5-dioxoimidazolidin-4-yl)urea;hydrate is NC(=O)NC1NC(=O)NC1=O.O.[AlH2]Cl.
What is the InChIKey of chloroalumane;(2,5-dioxoimidazolidin-4-yl)urea;hydrate?
The InChIKey is FZNMAXBAMYHLRV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6N4O3.Al.ClH.H2O.2H/c5-3(10)6-1-2(9)8-4(11)7-1;;;;;/h1H,(H3,5,6,10)(H2,7,8,9,11);;1H;1H2;;/q;+1;;;;/p-1.
What are the key properties of chloroalumane;(2,5-dioxoimidazolidin-4-yl)urea;hydrate?
chloroalumane;(2,5-dioxoimidazolidin-4-yl)urea;hydrate has a molecular weight of 240.58 g/mol, XLogP of -3.23, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloroalumane;(2,5-dioxoimidazolidin-4-yl)urea;hydrate is sourced from PubChem (CID 174561260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).