2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one

C20H17F3N2O2 — CID 71009031

IUPAC2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESO=C1C2=CN(Cc3ccccc3)CC2CN1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)27-17-8-6-16(7-9-17)25-12-15-11-24(13-18(15)19(25)26)10-14-4-2-1-3-5-14/h1-9,13,15H,10-12H2
InChIKeyDEHVKZMDDRPGMG-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.95
Rot. Bonds4

About 2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one

2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one (PubChem CID 71009031) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one
PubChem CID71009031
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESO=C1C2=CN(Cc3ccccc3)CC2CN1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)27-17-8-6-16(7-9-17)25-12-15-11-24(13-18(15)19(25)26)10-14-4-2-1-3-5-14/h1-9,13,15H,10-12H2
InChIKeyDEHVKZMDDRPGMG-UHFFFAOYSA-N
XLogP3.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one with MolForge

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Related Compounds

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1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
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1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
(6S,7aS)-6-bromo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 86673574
(3Z)-3-(1-hydroxyethylidene)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 143188086
5-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 46109570
(3R)-N-benzyl-5-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 93018118
4-benzyl-7-[4-(trifluoromethoxy)phenyl]-1,4-oxazepan-3-one
CID 176712194
(6R)-3-benzyl-4-oxo-2-[4-(trifluoromethoxy)phenyl]imino-1,3-thiazinane-6-carboxylic acid
CID 1255320
3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 155353464
2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one
CID 69081417

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The IUPAC name of 2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one (CID 71009031) is 2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one.
What is the SMILES notation for 2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The canonical SMILES for 2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one is O=C1C2=CN(Cc3ccccc3)CC2CN1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The InChIKey is DEHVKZMDDRPGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c21-20(22,23)27-17-8-6-16(7-9-17)25-12-15-11-24(13-18(15)19(25)26)10-14-4-2-1-3-5-14/h1-9,13,15H,10-12H2.
What are the key properties of 2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one has a molecular weight of 374.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[4-(trifluoromethoxy)phenyl]-6,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one is sourced from PubChem (CID 71009031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).