(3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione

C24H24N2O2 — CID 10022168

IUPAC(3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione
SMILESCC(C)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c2[C@H]1C
InChIInChI=1S/C24H24N2O2/c1-13(2)18-14(3)19-16-11-7-8-12-17(16)25-22(19)21-20(18)23(27)26(24(21)28)15-9-5-4-6-10-15/h4-14,18,20-21,25H,1-3H3/t14-,18+,20+,21+/m0/s1
InChIKeyRMXIOTGEXSPYAP-FEHMIHBQSA-N
MW372.47 g/mol
LogP4.83
Rot. Bonds2

About (3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione

(3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione (PubChem CID 10022168) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione.

Molecular Properties

Compound Name(3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione
PubChem CID10022168
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione
SMILESCC(C)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c2[C@H]1C
InChIInChI=1S/C24H24N2O2/c1-13(2)18-14(3)19-16-11-7-8-12-17(16)25-22(19)21-20(18)23(27)26(24(21)28)15-9-5-4-6-10-15/h4-14,18,20-21,25H,1-3H3/t14-,18+,20+,21+/m0/s1
InChIKeyRMXIOTGEXSPYAP-FEHMIHBQSA-N
XLogP4.83
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 10406844
(3aR,5R,10cR)-5-methyl-2-phenyl-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 14381905
(3aS,5S,10cS)-5-methyl-2-phenyl-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 102059616
(3aS,4R,10cS)-4-acetyl-2-phenyl-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 102059258
methyl (3aS,4R,10cR)-1,3-dioxo-2-phenyl-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-4-carboxylate
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CID 5109731
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CID 905080

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione?
The IUPAC name of (3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione (CID 10022168) is (3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione.
What is the SMILES notation for (3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione?
The canonical SMILES for (3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione is CC(C)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c2[C@H]1C.
What is the InChIKey of (3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione?
The InChIKey is RMXIOTGEXSPYAP-FEHMIHBQSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-13(2)18-14(3)19-16-11-7-8-12-17(16)25-22(19)21-20(18)23(27)26(24(21)28)15-9-5-4-6-10-15/h4-14,18,20-21,25H,1-3H3/t14-,18+,20+,21+/m0/s1.
What are the key properties of (3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione?
(3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione has a molecular weight of 372.47 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione is sourced from PubChem (CID 10022168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).