2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)imidazolidin-4-one

C9H10Cl2N2O — CID 89195456

IUPAC2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)imidazolidin-4-one
SMILESO=C1CNC(C2=CCC(Cl)C(Cl)=C2)N1
InChIInChI=1S/C9H10Cl2N2O/c10-6-2-1-5(3-7(6)11)9-12-4-8(14)13-9/h1,3,6,9,12H,2,4H2,(H,13,14)
InChIKeyKEIMCJUNTUEAOS-UHFFFAOYSA-N
MW233.10 g/mol
LogP1.09
Rot. Bonds1

About 2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)imidazolidin-4-one

2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)imidazolidin-4-one (PubChem CID 89195456) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)imidazolidin-4-one
PubChem CID89195456
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)imidazolidin-4-one
SMILESO=C1CNC(C2=CCC(Cl)C(Cl)=C2)N1
InChIInChI=1S/C9H10Cl2N2O/c10-6-2-1-5(3-7(6)11)9-12-4-8(14)13-9/h1,3,6,9,12H,2,4H2,(H,13,14)
InChIKeyKEIMCJUNTUEAOS-UHFFFAOYSA-N
XLogP1.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)imidazolidin-4-one?
The IUPAC name of 2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)imidazolidin-4-one (CID 89195456) is 2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)imidazolidin-4-one.
What is the SMILES notation for 2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)imidazolidin-4-one?
The canonical SMILES for 2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)imidazolidin-4-one is O=C1CNC(C2=CCC(Cl)C(Cl)=C2)N1.
What is the InChIKey of 2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)imidazolidin-4-one?
The InChIKey is KEIMCJUNTUEAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c10-6-2-1-5(3-7(6)11)9-12-4-8(14)13-9/h1,3,6,9,12H,2,4H2,(H,13,14).
What are the key properties of 2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)imidazolidin-4-one?
2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)imidazolidin-4-one has a molecular weight of 233.10 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)imidazolidin-4-one is sourced from PubChem (CID 89195456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).