5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one

C11H21N3O — CID 138388683

IUPAC5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C1(CC)C(C)C
InChIInChI=1S/C11H21N3O/c1-5-7-14-10(15)13-9(12)11(14,6-2)8(3)4/h8H,5-7H2,1-4H3,(H2,12,13,15)
InChIKeyKUKMPSLYYYBXEQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.20
Rot. Bonds4

About 5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one

5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one (PubChem CID 138388683) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one.

Molecular Properties

Compound Name5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one
PubChem CID138388683
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C1(CC)C(C)C
InChIInChI=1S/C11H21N3O/c1-5-7-14-10(15)13-9(12)11(14,6-2)8(3)4/h8H,5-7H2,1-4H3,(H2,12,13,15)
InChIKeyKUKMPSLYYYBXEQ-UHFFFAOYSA-N
XLogP2.20
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.20
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 5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one?
The IUPAC name of 5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one (CID 138388683) is 5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one.
What is the SMILES notation for 5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one?
The canonical SMILES for 5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CCC)C1(CC)C(C)C.
What is the InChIKey of 5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one?
The InChIKey is KUKMPSLYYYBXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-7-14-10(15)13-9(12)11(14,6-2)8(3)4/h8H,5-7H2,1-4H3,(H2,12,13,15).
What are the key properties of 5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one?
5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one has a molecular weight of 211.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one is sourced from PubChem (CID 138388683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).