1-tert-butyl-4-iminoimidazolidin-2-one

C7H13N3O — CID 146939038

IUPAC1-tert-butyl-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\CN(C(C)(C)C)C(=O)N1
InChIInChI=1S/C7H13N3O/c1-7(2,3)10-4-5(8)9-6(10)11/h4H2,1-3H3,(H2,8,9,11)
InChIKeyAGMQFVCFMISHES-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.79
Rot. Bonds

About 1-tert-butyl-4-iminoimidazolidin-2-one

1-tert-butyl-4-iminoimidazolidin-2-one (PubChem CID 146939038) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-tert-butyl-4-iminoimidazolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-iminoimidazolidin-2-one
PubChem CID146939038
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-tert-butyl-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\CN(C(C)(C)C)C(=O)N1
InChIInChI=1S/C7H13N3O/c1-7(2,3)10-4-5(8)9-6(10)11/h4H2,1-3H3,(H2,8,9,11)
InChIKeyAGMQFVCFMISHES-UHFFFAOYSA-N
XLogP0.79
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-iminoimidazolidin-2-one?
The IUPAC name of 1-tert-butyl-4-iminoimidazolidin-2-one (CID 146939038) is 1-tert-butyl-4-iminoimidazolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-iminoimidazolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-iminoimidazolidin-2-one is [H]/N=C1\CN(C(C)(C)C)C(=O)N1.
What is the InChIKey of 1-tert-butyl-4-iminoimidazolidin-2-one?
The InChIKey is AGMQFVCFMISHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-7(2,3)10-4-5(8)9-6(10)11/h4H2,1-3H3,(H2,8,9,11).
What are the key properties of 1-tert-butyl-4-iminoimidazolidin-2-one?
1-tert-butyl-4-iminoimidazolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-iminoimidazolidin-2-one is sourced from PubChem (CID 146939038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).