2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide

C10H16N4O2 — CID 79967782

IUPAC2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide
SMILESC=CCN1C(=O)N=C(N)C1CC(=O)NCC
InChIInChI=1S/C10H16N4O2/c1-3-5-14-7(6-8(15)12-4-2)9(11)13-10(14)16/h3,7H,1,4-6H2,2H3,(H,12,15)(H2,11,13,16)
InChIKeyYUUHRMYONNTCEC-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.14
Rot. Bonds5

About 2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide

2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide (PubChem CID 79967782) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide
PubChem CID79967782
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide
SMILESC=CCN1C(=O)N=C(N)C1CC(=O)NCC
InChIInChI=1S/C10H16N4O2/c1-3-5-14-7(6-8(15)12-4-2)9(11)13-10(14)16/h3,7H,1,4-6H2,2H3,(H,12,15)(H2,11,13,16)
InChIKeyYUUHRMYONNTCEC-UHFFFAOYSA-N
XLogP-0.14
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide?
The IUPAC name of 2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide (CID 79967782) is 2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide?
The canonical SMILES for 2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide is C=CCN1C(=O)N=C(N)C1CC(=O)NCC.
What is the InChIKey of 2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide?
The InChIKey is YUUHRMYONNTCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-5-14-7(6-8(15)12-4-2)9(11)13-10(14)16/h3,7H,1,4-6H2,2H3,(H,12,15)(H2,11,13,16).
What are the key properties of 2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide?
2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide has a molecular weight of 224.26 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide is sourced from PubChem (CID 79967782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).