dioxolane;1H-imidazole

C6H10N2O2 — CID 174466848

IUPACdioxolane;1H-imidazole
SMILESC1COOC1.c1c[nH]cn1
InChIInChI=1S/C3H4N2.C3H6O2/c1-2-5-3-4-1;1-2-4-5-3-1/h1-3H,(H,4,5);1-3H2
InChIKeyHKPSNHNYEUGQMN-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.75
Rot. Bonds

About dioxolane;1H-imidazole

dioxolane;1H-imidazole (PubChem CID 174466848) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is dioxolane;1H-imidazole.

Molecular Properties

Compound Namedioxolane;1H-imidazole
PubChem CID174466848
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Namedioxolane;1H-imidazole
SMILESC1COOC1.c1c[nH]cn1
InChIInChI=1S/C3H4N2.C3H6O2/c1-2-5-3-4-1;1-2-4-5-3-1/h1-3H,(H,4,5);1-3H2
InChIKeyHKPSNHNYEUGQMN-UHFFFAOYSA-N
XLogP0.75
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dioxolane;1H-imidazole 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 dioxolane;1H-imidazole?
The IUPAC name of dioxolane;1H-imidazole (CID 174466848) is dioxolane;1H-imidazole.
What is the SMILES notation for dioxolane;1H-imidazole?
The canonical SMILES for dioxolane;1H-imidazole is C1COOC1.c1c[nH]cn1.
What is the InChIKey of dioxolane;1H-imidazole?
The InChIKey is HKPSNHNYEUGQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C3H6O2/c1-2-5-3-4-1;1-2-4-5-3-1/h1-3H,(H,4,5);1-3H2.
What are the key properties of dioxolane;1H-imidazole?
dioxolane;1H-imidazole has a molecular weight of 142.16 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxolane;1H-imidazole is sourced from PubChem (CID 174466848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).