1-methyl-3H-furo[2,3-d]imidazol-2-one

C6H6N2O2 — CID 69289798

IUPAC1-methyl-3H-furo[2,3-d]imidazol-2-one
SMILESCn1c(=O)[nH]c2occc21
InChIInChI=1S/C6H6N2O2/c1-8-4-2-3-10-5(4)7-6(8)9/h2-3H,1H3,(H,7,9)
InChIKeyYJUFIMKZUIUJMF-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.46
Rot. Bonds

About 1-methyl-3H-furo[2,3-d]imidazol-2-one

1-methyl-3H-furo[2,3-d]imidazol-2-one (PubChem CID 69289798) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 1-methyl-3H-furo[2,3-d]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3H-furo[2,3-d]imidazol-2-one
PubChem CID69289798
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name1-methyl-3H-furo[2,3-d]imidazol-2-one
SMILESCn1c(=O)[nH]c2occc21
InChIInChI=1S/C6H6N2O2/c1-8-4-2-3-10-5(4)7-6(8)9/h2-3H,1H3,(H,7,9)
InChIKeyYJUFIMKZUIUJMF-UHFFFAOYSA-N
XLogP0.46
TPSA50.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3H-furo[2,3-d]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-methyl-3H-furo[2,3-d]imidazol-2-one?
The IUPAC name of 1-methyl-3H-furo[2,3-d]imidazol-2-one (CID 69289798) is 1-methyl-3H-furo[2,3-d]imidazol-2-one.
What is the SMILES notation for 1-methyl-3H-furo[2,3-d]imidazol-2-one?
The canonical SMILES for 1-methyl-3H-furo[2,3-d]imidazol-2-one is Cn1c(=O)[nH]c2occc21.
What is the InChIKey of 1-methyl-3H-furo[2,3-d]imidazol-2-one?
The InChIKey is YJUFIMKZUIUJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-8-4-2-3-10-5(4)7-6(8)9/h2-3H,1H3,(H,7,9).
What are the key properties of 1-methyl-3H-furo[2,3-d]imidazol-2-one?
1-methyl-3H-furo[2,3-d]imidazol-2-one has a molecular weight of 138.13 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3H-furo[2,3-d]imidazol-2-one is sourced from PubChem (CID 69289798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).