pyrrolo[1,2-a]imidazol-3-one

C6H4N2O — CID 166450450

IUPACpyrrolo[1,2-a]imidazol-3-one
SMILESO=C1C=Nc2cccn21
InChIInChI=1S/C6H4N2O/c9-6-4-7-5-2-1-3-8(5)6/h1-4H
InChIKeyXNSRHCFAIDAKGW-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.84
Rot. Bonds

About pyrrolo[1,2-a]imidazol-3-one

pyrrolo[1,2-a]imidazol-3-one (PubChem CID 166450450) has the molecular formula C6H4N2O and a molecular weight of 120.11 g/mol. Its IUPAC name is pyrrolo[1,2-a]imidazol-3-one.

Molecular Properties

Compound Namepyrrolo[1,2-a]imidazol-3-one
PubChem CID166450450
Molecular FormulaC6H4N2O
Molecular Weight120.11 g/mol
Exact Mass120.03
IUPAC Namepyrrolo[1,2-a]imidazol-3-one
SMILESO=C1C=Nc2cccn21
InChIInChI=1S/C6H4N2O/c9-6-4-7-5-2-1-3-8(5)6/h1-4H
InChIKeyXNSRHCFAIDAKGW-UHFFFAOYSA-N
XLogP0.84
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[1,2-a]imidazol-3-one?
The IUPAC name of pyrrolo[1,2-a]imidazol-3-one (CID 166450450) is pyrrolo[1,2-a]imidazol-3-one.
What is the SMILES notation for pyrrolo[1,2-a]imidazol-3-one?
The canonical SMILES for pyrrolo[1,2-a]imidazol-3-one is O=C1C=Nc2cccn21.
What is the InChIKey of pyrrolo[1,2-a]imidazol-3-one?
The InChIKey is XNSRHCFAIDAKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O/c9-6-4-7-5-2-1-3-8(5)6/h1-4H.
What are the key properties of pyrrolo[1,2-a]imidazol-3-one?
pyrrolo[1,2-a]imidazol-3-one has a molecular weight of 120.11 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[1,2-a]imidazol-3-one is sourced from PubChem (CID 166450450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).