1-ethyl-4-imino-3-methyl-5-propan-2-ylimidazolidin-2-one

C9H17N3O — CID 159102247

IUPAC1-ethyl-4-imino-3-methyl-5-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1/C(C(C)C)N(CC)C(=O)N1C
InChIInChI=1S/C9H17N3O/c1-5-12-7(6(2)3)8(10)11(4)9(12)13/h6-7,10H,5H2,1-4H3/b10-8-
InChIKeyFTHBTLBRLAFHEC-NTMALXAHSA-N
MW183.25 g/mol
LogP1.38
Rot. Bonds2

About 1-ethyl-4-imino-3-methyl-5-propan-2-ylimidazolidin-2-one

1-ethyl-4-imino-3-methyl-5-propan-2-ylimidazolidin-2-one (PubChem CID 159102247) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-ethyl-4-imino-3-methyl-5-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-imino-3-methyl-5-propan-2-ylimidazolidin-2-one
PubChem CID159102247
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-ethyl-4-imino-3-methyl-5-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1/C(C(C)C)N(CC)C(=O)N1C
InChIInChI=1S/C9H17N3O/c1-5-12-7(6(2)3)8(10)11(4)9(12)13/h6-7,10H,5H2,1-4H3/b10-8-
InChIKeyFTHBTLBRLAFHEC-NTMALXAHSA-N
XLogP1.38
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.38
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-methyl-5-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-ethyl-4-imino-3-methyl-5-propan-2-ylimidazolidin-2-one (CID 159102247) is 1-ethyl-4-imino-3-methyl-5-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-ethyl-4-imino-3-methyl-5-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-ethyl-4-imino-3-methyl-5-propan-2-ylimidazolidin-2-one is [H]/N=C1/C(C(C)C)N(CC)C(=O)N1C.
What is the InChIKey of 1-ethyl-4-imino-3-methyl-5-propan-2-ylimidazolidin-2-one?
The InChIKey is FTHBTLBRLAFHEC-NTMALXAHSA-N. The full InChI is InChI=1S/C9H17N3O/c1-5-12-7(6(2)3)8(10)11(4)9(12)13/h6-7,10H,5H2,1-4H3/b10-8-.
What are the key properties of 1-ethyl-4-imino-3-methyl-5-propan-2-ylimidazolidin-2-one?
1-ethyl-4-imino-3-methyl-5-propan-2-ylimidazolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.38, 2 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-methyl-5-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 159102247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).