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

C6H6N2O — CID 45087127

IUPAC1,3-dihydropyrrolo[1,2-a]imidazol-2-one
SMILESO=C1Cn2cccc2N1
InChIInChI=1S/C6H6N2O/c9-6-4-8-3-1-2-5(8)7-6/h1-3H,4H2,(H,7,9)
InChIKeyXGQSFBWDCHPCOD-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.44
Rot. Bonds

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

1,3-dihydropyrrolo[1,2-a]imidazol-2-one (PubChem CID 45087127) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 1,3-dihydropyrrolo[1,2-a]imidazol-2-one.

Molecular Properties

Compound Name1,3-dihydropyrrolo[1,2-a]imidazol-2-one
PubChem CID45087127
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name1,3-dihydropyrrolo[1,2-a]imidazol-2-one
SMILESO=C1Cn2cccc2N1
InChIInChI=1S/C6H6N2O/c9-6-4-8-3-1-2-5(8)7-6/h1-3H,4H2,(H,7,9)
InChIKeyXGQSFBWDCHPCOD-UHFFFAOYSA-N
XLogP0.44
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydropyrrolo[1,2-a]imidazol-2-one?
The IUPAC name of 1,3-dihydropyrrolo[1,2-a]imidazol-2-one (CID 45087127) is 1,3-dihydropyrrolo[1,2-a]imidazol-2-one.
What is the SMILES notation for 1,3-dihydropyrrolo[1,2-a]imidazol-2-one?
The canonical SMILES for 1,3-dihydropyrrolo[1,2-a]imidazol-2-one is O=C1Cn2cccc2N1.
What is the InChIKey of 1,3-dihydropyrrolo[1,2-a]imidazol-2-one?
The InChIKey is XGQSFBWDCHPCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c9-6-4-8-3-1-2-5(8)7-6/h1-3H,4H2,(H,7,9).
What are the key properties of 1,3-dihydropyrrolo[1,2-a]imidazol-2-one?
1,3-dihydropyrrolo[1,2-a]imidazol-2-one has a molecular weight of 122.13 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydropyrrolo[1,2-a]imidazol-2-one is sourced from PubChem (CID 45087127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).