(3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one

C19H20N2O — CID 164689589

IUPAC(3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one
SMILESO=C1NC[C@H]2CN(Cc3ccccc3-c3ccccc3)C[C@@H]12
InChIInChI=1S/C19H20N2O/c22-19-18-13-21(12-16(18)10-20-19)11-15-8-4-5-9-17(15)14-6-2-1-3-7-14/h1-9,16,18H,10-13H2,(H,20,22)/t16-,18+/m0/s1
InChIKeyZFERYXREEWDXIQ-FUHWJXTLSA-N
MW292.38 g/mol
LogP2.53
Rot. Bonds3

About (3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one

(3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one (PubChem CID 164689589) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one.

Molecular Properties

Compound Name(3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one
PubChem CID164689589
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one
SMILESO=C1NC[C@H]2CN(Cc3ccccc3-c3ccccc3)C[C@@H]12
InChIInChI=1S/C19H20N2O/c22-19-18-13-21(12-16(18)10-20-19)11-15-8-4-5-9-17(15)14-6-2-1-3-7-14/h1-9,16,18H,10-13H2,(H,20,22)/t16-,18+/m0/s1
InChIKeyZFERYXREEWDXIQ-FUHWJXTLSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one?
The IUPAC name of (3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one (CID 164689589) is (3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one.
What is the SMILES notation for (3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one?
The canonical SMILES for (3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one is O=C1NC[C@H]2CN(Cc3ccccc3-c3ccccc3)C[C@@H]12.
What is the InChIKey of (3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one?
The InChIKey is ZFERYXREEWDXIQ-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H20N2O/c22-19-18-13-21(12-16(18)10-20-19)11-15-8-4-5-9-17(15)14-6-2-1-3-7-14/h1-9,16,18H,10-13H2,(H,20,22)/t16-,18+/m0/s1.
What are the key properties of (3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one?
(3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one has a molecular weight of 292.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one is sourced from PubChem (CID 164689589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).