4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one

C14H14N2O — CID 12066538

IUPAC4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one
SMILESCCC1=C2CCN=C2N(c2ccccc2)C1=O
InChIInChI=1S/C14H14N2O/c1-2-11-12-8-9-15-13(12)16(14(11)17)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyUICKPBYBCSMWOW-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.54
Rot. Bonds2

About 4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one

4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one (PubChem CID 12066538) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one.

Molecular Properties

Compound Name4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one
PubChem CID12066538
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one
SMILESCCC1=C2CCN=C2N(c2ccccc2)C1=O
InChIInChI=1S/C14H14N2O/c1-2-11-12-8-9-15-13(12)16(14(11)17)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyUICKPBYBCSMWOW-UHFFFAOYSA-N
XLogP2.54
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one?
The IUPAC name of 4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one (CID 12066538) is 4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one.
What is the SMILES notation for 4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one?
The canonical SMILES for 4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one is CCC1=C2CCN=C2N(c2ccccc2)C1=O.
What is the InChIKey of 4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one?
The InChIKey is UICKPBYBCSMWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-11-12-8-9-15-13(12)16(14(11)17)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of 4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one?
4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one has a molecular weight of 226.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one is sourced from PubChem (CID 12066538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).