3,5-dihydro-2H-pyrrolo[2,3-c]pyrrol-6-one

C6H6N2O — CID 153446743

IUPAC3,5-dihydro-2H-pyrrolo[2,3-c]pyrrol-6-one
SMILESO=C1NC=C2CCN=C12
InChIInChI=1S/C6H6N2O/c9-6-5-4(3-8-6)1-2-7-5/h3H,1-2H2,(H,8,9)
InChIKeySHAPPLMILHKUIB-UHFFFAOYSA-N
MW122.13 g/mol
LogP-0.16
Rot. Bonds

About 3,5-dihydro-2H-pyrrolo[2,3-c]pyrrol-6-one

3,5-dihydro-2H-pyrrolo[2,3-c]pyrrol-6-one (PubChem CID 153446743) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 3,5-dihydro-2H-pyrrolo[2,3-c]pyrrol-6-one.

Molecular Properties

Compound Name3,5-dihydro-2H-pyrrolo[2,3-c]pyrrol-6-one
PubChem CID153446743
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name3,5-dihydro-2H-pyrrolo[2,3-c]pyrrol-6-one
SMILESO=C1NC=C2CCN=C12
InChIInChI=1S/C6H6N2O/c9-6-5-4(3-8-6)1-2-7-5/h3H,1-2H2,(H,8,9)
InChIKeySHAPPLMILHKUIB-UHFFFAOYSA-N
XLogP-0.16
TPSA41.46 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 ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-pyrrolo[2,3-c]pyrrol-6-one?
The IUPAC name of 3,5-dihydro-2H-pyrrolo[2,3-c]pyrrol-6-one (CID 153446743) is 3,5-dihydro-2H-pyrrolo[2,3-c]pyrrol-6-one.
What is the SMILES notation for 3,5-dihydro-2H-pyrrolo[2,3-c]pyrrol-6-one?
The canonical SMILES for 3,5-dihydro-2H-pyrrolo[2,3-c]pyrrol-6-one is O=C1NC=C2CCN=C12.
What is the InChIKey of 3,5-dihydro-2H-pyrrolo[2,3-c]pyrrol-6-one?
The InChIKey is SHAPPLMILHKUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c9-6-5-4(3-8-6)1-2-7-5/h3H,1-2H2,(H,8,9).
What are the key properties of 3,5-dihydro-2H-pyrrolo[2,3-c]pyrrol-6-one?
3,5-dihydro-2H-pyrrolo[2,3-c]pyrrol-6-one has a molecular weight of 122.13 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-pyrrolo[2,3-c]pyrrol-6-one is sourced from PubChem (CID 153446743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).