1-chloro-2,2,5,5-tetramethylimidazolidin-4-one

C7H13ClN2O — CID 14774706

IUPAC1-chloro-2,2,5,5-tetramethylimidazolidin-4-one
SMILESCC1(C)NC(=O)C(C)(C)N1Cl
InChIInChI=1S/C7H13ClN2O/c1-6(2)5(11)9-7(3,4)10(6)8/h1-4H3,(H,9,11)
InChIKeyLCWLUUNLZNVFKH-UHFFFAOYSA-N
MW176.65 g/mol
LogP1.09
Rot. Bonds

About 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one

1-chloro-2,2,5,5-tetramethylimidazolidin-4-one (PubChem CID 14774706) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one.

Molecular Properties

Compound Name1-chloro-2,2,5,5-tetramethylimidazolidin-4-one
PubChem CID14774706
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name1-chloro-2,2,5,5-tetramethylimidazolidin-4-one
SMILESCC1(C)NC(=O)C(C)(C)N1Cl
InChIInChI=1S/C7H13ClN2O/c1-6(2)5(11)9-7(3,4)10(6)8/h1-4H3,(H,9,11)
InChIKeyLCWLUUNLZNVFKH-UHFFFAOYSA-N
XLogP1.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one?
The IUPAC name of 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one (CID 14774706) is 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one.
What is the SMILES notation for 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one?
The canonical SMILES for 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one is CC1(C)NC(=O)C(C)(C)N1Cl.
What is the InChIKey of 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one?
The InChIKey is LCWLUUNLZNVFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O/c1-6(2)5(11)9-7(3,4)10(6)8/h1-4H3,(H,9,11).
What are the key properties of 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one?
1-chloro-2,2,5,5-tetramethylimidazolidin-4-one has a molecular weight of 176.65 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,2,5,5-tetramethylimidazolidin-4-one is sourced from PubChem (CID 14774706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).