5,6-dibromo-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one

C6H4Br2N2O — CID 175475534

IUPAC5,6-dibromo-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one
SMILESO=C1Cc2[nH]c(Br)c(Br)c2N1
InChIInChI=1S/C6H4Br2N2O/c7-4-5-2(9-6(4)8)1-3(11)10-5/h9H,1H2,(H,10,11)
InChIKeyIOMNIISXWDOPCC-UHFFFAOYSA-N
MW279.92 g/mol
LogP2.03
Rot. Bonds

About 5,6-dibromo-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one

5,6-dibromo-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one (PubChem CID 175475534) has the molecular formula C6H4Br2N2O and a molecular weight of 279.92 g/mol. Its IUPAC name is 5,6-dibromo-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one.

Molecular Properties

Compound Name5,6-dibromo-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one
PubChem CID175475534
Molecular FormulaC6H4Br2N2O
Molecular Weight279.92 g/mol
Exact Mass277.87
IUPAC Name5,6-dibromo-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one
SMILESO=C1Cc2[nH]c(Br)c(Br)c2N1
InChIInChI=1S/C6H4Br2N2O/c7-4-5-2(9-6(4)8)1-3(11)10-5/h9H,1H2,(H,10,11)
InChIKeyIOMNIISXWDOPCC-UHFFFAOYSA-N
XLogP2.03
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.92
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one?
The IUPAC name of 5,6-dibromo-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one (CID 175475534) is 5,6-dibromo-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one.
What is the SMILES notation for 5,6-dibromo-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one?
The canonical SMILES for 5,6-dibromo-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one is O=C1Cc2[nH]c(Br)c(Br)c2N1.
What is the InChIKey of 5,6-dibromo-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one?
The InChIKey is IOMNIISXWDOPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2N2O/c7-4-5-2(9-6(4)8)1-3(11)10-5/h9H,1H2,(H,10,11).
What are the key properties of 5,6-dibromo-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one?
5,6-dibromo-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one has a molecular weight of 279.92 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one is sourced from PubChem (CID 175475534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).