5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one

C11H19N3O — CID 138390658

IUPAC5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC=C)C1(CC)C(C)C
InChIInChI=1S/C11H19N3O/c1-5-7-14-10(15)13-9(12)11(14,6-2)8(3)4/h5,8H,1,6-7H2,2-4H3,(H2,12,13,15)
InChIKeyMMRSINIFNTYADG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.98
Rot. Bonds4

About 5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one

5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one (PubChem CID 138390658) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one
PubChem CID138390658
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC=C)C1(CC)C(C)C
InChIInChI=1S/C11H19N3O/c1-5-7-14-10(15)13-9(12)11(14,6-2)8(3)4/h5,8H,1,6-7H2,2-4H3,(H2,12,13,15)
InChIKeyMMRSINIFNTYADG-UHFFFAOYSA-N
XLogP1.98
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one
CID 138388683
5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one
CID 138390268
4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one
CID 138391195
5-ethyl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
CID 138388406
4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one
CID 138389825
5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
CID 138388328
1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one
CID 138390342
5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione
CID 59116103
1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one
CID 138389354
5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one
CID 138388444
1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one
CID 138390452
4-imino-5,5-dimethyl-1-propan-2-ylimidazolidin-2-one
CID 138390712

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one?
The IUPAC name of 5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one (CID 138390658) is 5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC=C)C1(CC)C(C)C.
What is the InChIKey of 5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one?
The InChIKey is MMRSINIFNTYADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-7-14-10(15)13-9(12)11(14,6-2)8(3)4/h5,8H,1,6-7H2,2-4H3,(H2,12,13,15).
What are the key properties of 5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one?
5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.98, 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-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 138390658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).