(3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione

C19H18N2O3 — CID 40619070

IUPAC(3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione
SMILESCN(C)N1C(=O)C[C@@]2(c3ccccc3)C(=O)c3ccccc3[C@@]12O
InChIInChI=1S/C19H18N2O3/c1-20(2)21-16(22)12-18(13-8-4-3-5-9-13)17(23)14-10-6-7-11-15(14)19(18,21)24/h3-11,24H,12H2,1-2H3/t18-,19+/m1/s1
InChIKeyFMTGCPDYSAPBRS-MOPGFXCFSA-N
MW322.36 g/mol
LogP1.67
Rot. Bonds2

About (3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione

(3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione (PubChem CID 40619070) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione.

Molecular Properties

Compound Name(3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione
PubChem CID40619070
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione
SMILESCN(C)N1C(=O)C[C@@]2(c3ccccc3)C(=O)c3ccccc3[C@@]12O
InChIInChI=1S/C19H18N2O3/c1-20(2)21-16(22)12-18(13-8-4-3-5-9-13)17(23)14-10-6-7-11-15(14)19(18,21)24/h3-11,24H,12H2,1-2H3/t18-,19+/m1/s1
InChIKeyFMTGCPDYSAPBRS-MOPGFXCFSA-N
XLogP1.67
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione?
The IUPAC name of (3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione (CID 40619070) is (3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione.
What is the SMILES notation for (3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione?
The canonical SMILES for (3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione is CN(C)N1C(=O)C[C@@]2(c3ccccc3)C(=O)c3ccccc3[C@@]12O.
What is the InChIKey of (3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione?
The InChIKey is FMTGCPDYSAPBRS-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-20(2)21-16(22)12-18(13-8-4-3-5-9-13)17(23)14-10-6-7-11-15(14)19(18,21)24/h3-11,24H,12H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of (3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione?
(3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione has a molecular weight of 322.36 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione is sourced from PubChem (CID 40619070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).