(3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione

C19H17NO3 — CID 40573803

IUPAC(3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione
SMILESCCN1C(=O)C[C@]2(c3ccccc3)C(=O)c3ccccc3[C@]12O
InChIInChI=1S/C19H17NO3/c1-2-20-16(21)12-18(13-8-4-3-5-9-13)17(22)14-10-6-7-11-15(14)19(18,20)23/h3-11,23H,2,12H2,1H3/t18-,19+/m0/s1
InChIKeyFXDLKCAEAWPSPE-RBUKOAKNSA-N
MW307.35 g/mol
LogP2.22
Rot. Bonds2

About (3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione

(3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione (PubChem CID 40573803) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione.

Molecular Properties

Compound Name(3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione
PubChem CID40573803
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione
SMILESCCN1C(=O)C[C@]2(c3ccccc3)C(=O)c3ccccc3[C@]12O
InChIInChI=1S/C19H17NO3/c1-2-20-16(21)12-18(13-8-4-3-5-9-13)17(22)14-10-6-7-11-15(14)19(18,20)23/h3-11,23H,2,12H2,1H3/t18-,19+/m0/s1
InChIKeyFXDLKCAEAWPSPE-RBUKOAKNSA-N
XLogP2.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione with MolForge

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Related Compounds

(3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione
CID 40619070
1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione
CID 23968819
(4S,5S)-1,3-diethyl-4,5-dihydroxy-4,5-diphenylimidazolidin-2-one
CID 789461
2-butyl-3-hydroxy-3-phenylisoindol-1-one
CID 4086644
(3aR,8bR)-3a,8b-dihydroxy-1,3-dimethylindeno[1,2-d]imidazole-2,4-dione
CID 746721
2-ethyl-3-(ethylamino)-3-phenylisoindol-1-one
CID 170908629
(2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one
CID 172635621
2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one
CID 5121880
(3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one
CID 124628887
(3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one
CID 848840
3a,8b-dihydroxy-1-prop-2-enyl-3H-indeno[1,2-d]imidazole-2,4-dione
CID 3131057
(3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one
CID 7000102

Frequently Asked Questions

What is the IUPAC name of (3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione?
The IUPAC name of (3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione (CID 40573803) is (3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione.
What is the SMILES notation for (3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione?
The canonical SMILES for (3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione is CCN1C(=O)C[C@]2(c3ccccc3)C(=O)c3ccccc3[C@]12O.
What is the InChIKey of (3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione?
The InChIKey is FXDLKCAEAWPSPE-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H17NO3/c1-2-20-16(21)12-18(13-8-4-3-5-9-13)17(22)14-10-6-7-11-15(14)19(18,20)23/h3-11,23H,2,12H2,1H3/t18-,19+/m0/s1.
What are the key properties of (3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione?
(3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione has a molecular weight of 307.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione is sourced from PubChem (CID 40573803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).