1,3-diethyl-4-imino-5-propan-2-ylimidazolidin-2-one

C10H19N3O — CID 159102249

IUPAC1,3-diethyl-4-imino-5-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1/C(C(C)C)N(CC)C(=O)N1CC
InChIInChI=1S/C10H19N3O/c1-5-12-8(7(3)4)9(11)13(6-2)10(12)14/h7-8,11H,5-6H2,1-4H3/b11-9-
InChIKeyTWRVIXCRQGJHIM-LUAWRHEFSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds3

About 1,3-diethyl-4-imino-5-propan-2-ylimidazolidin-2-one

1,3-diethyl-4-imino-5-propan-2-ylimidazolidin-2-one (PubChem CID 159102249) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1,3-diethyl-4-imino-5-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1,3-diethyl-4-imino-5-propan-2-ylimidazolidin-2-one
PubChem CID159102249
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1,3-diethyl-4-imino-5-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1/C(C(C)C)N(CC)C(=O)N1CC
InChIInChI=1S/C10H19N3O/c1-5-12-8(7(3)4)9(11)13(6-2)10(12)14/h7-8,11H,5-6H2,1-4H3/b11-9-
InChIKeyTWRVIXCRQGJHIM-LUAWRHEFSA-N
XLogP1.77
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.77
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 1,3-diethyl-4-imino-5-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1,3-diethyl-4-imino-5-propan-2-ylimidazolidin-2-one (CID 159102249) is 1,3-diethyl-4-imino-5-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1,3-diethyl-4-imino-5-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1,3-diethyl-4-imino-5-propan-2-ylimidazolidin-2-one is [H]/N=C1/C(C(C)C)N(CC)C(=O)N1CC.
What is the InChIKey of 1,3-diethyl-4-imino-5-propan-2-ylimidazolidin-2-one?
The InChIKey is TWRVIXCRQGJHIM-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-12-8(7(3)4)9(11)13(6-2)10(12)14/h7-8,11H,5-6H2,1-4H3/b11-9-.
What are the key properties of 1,3-diethyl-4-imino-5-propan-2-ylimidazolidin-2-one?
1,3-diethyl-4-imino-5-propan-2-ylimidazolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4-imino-5-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 159102249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).