1-cyclopropyl-3-(2-ethoxyethyl)imidazol-2-one

C10H16N2O2 — CID 116625322

IUPAC1-cyclopropyl-3-(2-ethoxyethyl)imidazol-2-one
SMILESCCOCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C10H16N2O2/c1-2-14-8-7-11-5-6-12(10(11)13)9-3-4-9/h5-6,9H,2-4,7-8H2,1H3
InChIKeyWPGHCWDAVYFORU-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.02
Rot. Bonds5

About 1-cyclopropyl-3-(2-ethoxyethyl)imidazol-2-one

1-cyclopropyl-3-(2-ethoxyethyl)imidazol-2-one (PubChem CID 116625322) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-ethoxyethyl)imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-ethoxyethyl)imidazol-2-one
PubChem CID116625322
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-cyclopropyl-3-(2-ethoxyethyl)imidazol-2-one
SMILESCCOCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C10H16N2O2/c1-2-14-8-7-11-5-6-12(10(11)13)9-3-4-9/h5-6,9H,2-4,7-8H2,1H3
InChIKeyWPGHCWDAVYFORU-UHFFFAOYSA-N
XLogP1.02
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-(2-ethoxyethyl)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 1-cyclopropyl-3-(2-ethoxyethyl)imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-(2-ethoxyethyl)imidazol-2-one (CID 116625322) is 1-cyclopropyl-3-(2-ethoxyethyl)imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(2-ethoxyethyl)imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-(2-ethoxyethyl)imidazol-2-one is CCOCCn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-(2-ethoxyethyl)imidazol-2-one?
The InChIKey is WPGHCWDAVYFORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-14-8-7-11-5-6-12(10(11)13)9-3-4-9/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-cyclopropyl-3-(2-ethoxyethyl)imidazol-2-one?
1-cyclopropyl-3-(2-ethoxyethyl)imidazol-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-ethoxyethyl)imidazol-2-one is sourced from PubChem (CID 116625322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).