5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one

C10H17N3O3 — CID 79960269

IUPAC5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one
SMILESCOC(CC1C(N)=NC(=O)N1C1CC1)OC
InChIInChI=1S/C10H17N3O3/c1-15-8(16-2)5-7-9(11)12-10(14)13(7)6-3-4-6/h6-8H,3-5H2,1-2H3,(H2,11,12,14)
InChIKeyRCXCLZADNYMAQD-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.32
Rot. Bonds5

About 5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one

5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one (PubChem CID 79960269) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one
PubChem CID79960269
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one
SMILESCOC(CC1C(N)=NC(=O)N1C1CC1)OC
InChIInChI=1S/C10H17N3O3/c1-15-8(16-2)5-7-9(11)12-10(14)13(7)6-3-4-6/h6-8H,3-5H2,1-2H3,(H2,11,12,14)
InChIKeyRCXCLZADNYMAQD-UHFFFAOYSA-N
XLogP0.32
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one (CID 79960269) is 5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one is COC(CC1C(N)=NC(=O)N1C1CC1)OC.
What is the InChIKey of 5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one?
The InChIKey is RCXCLZADNYMAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-15-8(16-2)5-7-9(11)12-10(14)13(7)6-3-4-6/h6-8H,3-5H2,1-2H3,(H2,11,12,14).
What are the key properties of 5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one?
5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one has a molecular weight of 227.26 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one is sourced from PubChem (CID 79960269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).