(7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one

C15H11F3N2O — CID 86337067

IUPAC(7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one
SMILESO=C1CC[C@@]2(C(F)(F)F)Nc3cccc4cccc(c34)N12
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)14-8-7-12(21)20(14)11-6-2-4-9-3-1-5-10(19-14)13(9)11/h1-6,19H,7-8H2/t14-/m1/s1
InChIKeyCUUSAWIUVMOJTD-CQSZACIVSA-N
MW292.26 g/mol
LogP3.65
Rot. Bonds

About (7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one

(7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one (PubChem CID 86337067) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is (7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one.

Molecular Properties

Compound Name(7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one
PubChem CID86337067
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name(7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one
SMILESO=C1CC[C@@]2(C(F)(F)F)Nc3cccc4cccc(c34)N12
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)14-8-7-12(21)20(14)11-6-2-4-9-3-1-5-10(19-14)13(9)11/h1-6,19H,7-8H2/t14-/m1/s1
InChIKeyCUUSAWIUVMOJTD-CQSZACIVSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS)-3a-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one
CID 86337079
12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene
CID 20710448
(3aS)-3a-propyl-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one
CID 41286244
2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione
CID 70429903
2',6'-ditert-butylspiro[1,3-dihydroperimidine-2,4'-cyclohexa-2,5-diene]-1'-one
CID 2868939
15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione
CID 46223611
7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione
CID 81156365
(3aR,4aR,8aR)-3a-(trifluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one
CID 72942213
(3aS)-8-fluoro-3a-methyl-2,3,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one
CID 139091589
(3aR)-3a-(difluoromethyl)-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazol-1-one
CID 86337087
(1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one
CID 7689726
4-(2,3-dimethylphenyl)-3,3-dimethyl-1,4-diazepan-5-one
CID 117023483

Frequently Asked Questions

What is the IUPAC name of (7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one?
The IUPAC name of (7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one (CID 86337067) is (7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one.
What is the SMILES notation for (7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one?
The canonical SMILES for (7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one is O=C1CC[C@@]2(C(F)(F)F)Nc3cccc4cccc(c34)N12.
What is the InChIKey of (7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one?
The InChIKey is CUUSAWIUVMOJTD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-15(17,18)14-8-7-12(21)20(14)11-6-2-4-9-3-1-5-10(19-14)13(9)11/h1-6,19H,7-8H2/t14-/m1/s1.
What are the key properties of (7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one?
(7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one has a molecular weight of 292.26 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one is sourced from PubChem (CID 86337067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).