1H-pyrrolo[3,4-b]pyrrol-2-one

C6H4N2O — CID 139894694

IUPAC1H-pyrrolo[3,4-b]pyrrol-2-one
SMILESO=C1C=C2C=NC=C2N1
InChIInChI=1S/C6H4N2O/c9-6-1-4-2-7-3-5(4)8-6/h1-3H,(H,8,9)
InChIKeyFDAXAOACZIWZAW-UHFFFAOYSA-N
MW120.11 g/mol
LogP-0.03
Rot. Bonds

About 1H-pyrrolo[3,4-b]pyrrol-2-one

1H-pyrrolo[3,4-b]pyrrol-2-one (PubChem CID 139894694) has the molecular formula C6H4N2O and a molecular weight of 120.11 g/mol. Its IUPAC name is 1H-pyrrolo[3,4-b]pyrrol-2-one.

Molecular Properties

Compound Name1H-pyrrolo[3,4-b]pyrrol-2-one
PubChem CID139894694
Molecular FormulaC6H4N2O
Molecular Weight120.11 g/mol
Exact Mass120.03
IUPAC Name1H-pyrrolo[3,4-b]pyrrol-2-one
SMILESO=C1C=C2C=NC=C2N1
InChIInChI=1S/C6H4N2O/c9-6-1-4-2-7-3-5(4)8-6/h1-3H,(H,8,9)
InChIKeyFDAXAOACZIWZAW-UHFFFAOYSA-N
XLogP-0.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[3,4-b]pyrrol-2-one?
The IUPAC name of 1H-pyrrolo[3,4-b]pyrrol-2-one (CID 139894694) is 1H-pyrrolo[3,4-b]pyrrol-2-one.
What is the SMILES notation for 1H-pyrrolo[3,4-b]pyrrol-2-one?
The canonical SMILES for 1H-pyrrolo[3,4-b]pyrrol-2-one is O=C1C=C2C=NC=C2N1.
What is the InChIKey of 1H-pyrrolo[3,4-b]pyrrol-2-one?
The InChIKey is FDAXAOACZIWZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O/c9-6-1-4-2-7-3-5(4)8-6/h1-3H,(H,8,9).
What are the key properties of 1H-pyrrolo[3,4-b]pyrrol-2-one?
1H-pyrrolo[3,4-b]pyrrol-2-one has a molecular weight of 120.11 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[3,4-b]pyrrol-2-one is sourced from PubChem (CID 139894694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).