1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one

C7H13N3O — CID 156893058

IUPAC1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one
SMILES[H]/N=C1/C(C)N(CC)C(=O)N1C
InChIInChI=1S/C7H13N3O/c1-4-10-5(2)6(8)9(3)7(10)11/h5,8H,4H2,1-3H3/b8-6-
InChIKeyWAAWCEWQDNKZKR-VURMDHGXSA-N
MW155.20 g/mol
LogP0.74
Rot. Bonds1

About 1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one

1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one (PubChem CID 156893058) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one
PubChem CID156893058
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one
SMILES[H]/N=C1/C(C)N(CC)C(=O)N1C
InChIInChI=1S/C7H13N3O/c1-4-10-5(2)6(8)9(3)7(10)11/h5,8H,4H2,1-3H3/b8-6-
InChIKeyWAAWCEWQDNKZKR-VURMDHGXSA-N
XLogP0.74
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
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-ethyl-4-imino-3,5-dimethylimidazolidin-2-one?
The IUPAC name of 1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one (CID 156893058) is 1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one.
What is the SMILES notation for 1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one?
The canonical SMILES for 1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one is [H]/N=C1/C(C)N(CC)C(=O)N1C.
What is the InChIKey of 1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one?
The InChIKey is WAAWCEWQDNKZKR-VURMDHGXSA-N. The full InChI is InChI=1S/C7H13N3O/c1-4-10-5(2)6(8)9(3)7(10)11/h5,8H,4H2,1-3H3/b8-6-.
What are the key properties of 1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one?
1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one is sourced from PubChem (CID 156893058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).