(5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one

C8H13N3O — CID 170184147

IUPAC(5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one
SMILESC/C=C1C(=N\C)\NC(=O)N\1CC
InChIInChI=1S/C8H13N3O/c1-4-6-7(9-3)10-8(12)11(6)5-2/h4H,5H2,1-3H3,(H,9,10,12)/b6-4+
InChIKeyLBFMWEIBROAXMX-GQCTYLIASA-N
MW167.21 g/mol
LogP0.96
Rot. Bonds1

About (5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one

(5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one (PubChem CID 170184147) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one.

Molecular Properties

Compound Name(5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one
PubChem CID170184147
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one
SMILESC/C=C1C(=N\C)\NC(=O)N\1CC
InChIInChI=1S/C8H13N3O/c1-4-6-7(9-3)10-8(12)11(6)5-2/h4H,5H2,1-3H3,(H,9,10,12)/b6-4+
InChIKeyLBFMWEIBROAXMX-GQCTYLIASA-N
XLogP0.96
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.96
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 (5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one?
The IUPAC name of (5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one (CID 170184147) is (5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one.
What is the SMILES notation for (5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one?
The canonical SMILES for (5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one is C/C=C1C(=N\C)\NC(=O)N\1CC.
What is the InChIKey of (5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one?
The InChIKey is LBFMWEIBROAXMX-GQCTYLIASA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-6-7(9-3)10-8(12)11(6)5-2/h4H,5H2,1-3H3,(H,9,10,12)/b6-4+.
What are the key properties of (5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one?
(5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-ethyl-5-ethylidene-4-methyliminoimidazolidin-2-one is sourced from PubChem (CID 170184147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).