(7aS)-7a-phenyl-8,9-dihydrophenaleno[1,2-b]pyrrol-7-one

C21H15NO — CID 146169080

IUPAC(7aS)-7a-phenyl-8,9-dihydrophenaleno[1,2-b]pyrrol-7-one
SMILESO=C1c2cccc3cccc(c23)C2=NCC[C@@]12c1ccccc1
InChIInChI=1S/C21H15NO/c23-20-17-11-5-7-14-6-4-10-16(18(14)17)19-21(20,12-13-22-19)15-8-2-1-3-9-15/h1-11H,12-13H2/t21-/m0/s1
InChIKeyTVPRTRBNWJBDBZ-NRFANRHFSA-N
MW297.36 g/mol
LogP4.17
Rot. Bonds1

About (7aS)-7a-phenyl-8,9-dihydrophenaleno[1,2-b]pyrrol-7-one

(7aS)-7a-phenyl-8,9-dihydrophenaleno[1,2-b]pyrrol-7-one (PubChem CID 146169080) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is (7aS)-7a-phenyl-8,9-dihydrophenaleno[1,2-b]pyrrol-7-one.

Molecular Properties

Compound Name(7aS)-7a-phenyl-8,9-dihydrophenaleno[1,2-b]pyrrol-7-one
PubChem CID146169080
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name(7aS)-7a-phenyl-8,9-dihydrophenaleno[1,2-b]pyrrol-7-one
SMILESO=C1c2cccc3cccc(c23)C2=NCC[C@@]12c1ccccc1
InChIInChI=1S/C21H15NO/c23-20-17-11-5-7-14-6-4-10-16(18(14)17)19-21(20,12-13-22-19)15-8-2-1-3-9-15/h1-11H,12-13H2/t21-/m0/s1
InChIKeyTVPRTRBNWJBDBZ-NRFANRHFSA-N
XLogP4.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydro-1-aza-benzo[de]anthracen-7-one
CID 636991
16-Azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),9,11,13(17)-pentaen-8-one
CID 5242334
3,4-Dihydro-1-isoquinolinyl(phenyl)methanone
CID 12631416
11-Azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one
CID 54190225
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-(4-fluoronaphthalen-1-yl)ethanone
CID 91148029
(Z)-2-{(E)-[(Naphthalen-1-yl)methylidene]hydrazinylidene}-1,2-diphenylethanone
CID 6906610
3,3-Dimethyl-1-phenyl-3a,9a-dihydrobenzo[f]isoindole-4,9-dione
CID 86055746
(9S,13R,17R)-12-ethenyl-17-methyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11-pentaen-8-one
CID 101955275
(9R,13R,16S)-12-ethenyl-9-methyl-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,11-pentaen-8-one
CID 101955285
(1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one
CID 102291257
(1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one
CID 102291260
Chrysenequinone-imine
CID 129668416

Frequently Asked Questions

What is the IUPAC name of (7aS)-7a-phenyl-8,9-dihydrophenaleno[1,2-b]pyrrol-7-one?
The IUPAC name of (7aS)-7a-phenyl-8,9-dihydrophenaleno[1,2-b]pyrrol-7-one (CID 146169080) is (7aS)-7a-phenyl-8,9-dihydrophenaleno[1,2-b]pyrrol-7-one.
What is the SMILES notation for (7aS)-7a-phenyl-8,9-dihydrophenaleno[1,2-b]pyrrol-7-one?
The canonical SMILES for (7aS)-7a-phenyl-8,9-dihydrophenaleno[1,2-b]pyrrol-7-one is O=C1c2cccc3cccc(c23)C2=NCC[C@@]12c1ccccc1.
What is the InChIKey of (7aS)-7a-phenyl-8,9-dihydrophenaleno[1,2-b]pyrrol-7-one?
The InChIKey is TVPRTRBNWJBDBZ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H15NO/c23-20-17-11-5-7-14-6-4-10-16(18(14)17)19-21(20,12-13-22-19)15-8-2-1-3-9-15/h1-11H,12-13H2/t21-/m0/s1.
What are the key properties of (7aS)-7a-phenyl-8,9-dihydrophenaleno[1,2-b]pyrrol-7-one?
(7aS)-7a-phenyl-8,9-dihydrophenaleno[1,2-b]pyrrol-7-one has a molecular weight of 297.36 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-7a-phenyl-8,9-dihydrophenaleno[1,2-b]pyrrol-7-one is sourced from PubChem (CID 146169080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).