(3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione

C20H24N2O3 — CID 146319555

IUPAC(3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione
SMILESCO[C@]12CCC(=O)C[C@H]1N1CCC3(C(=O)Nc4ccccc43)[C@@H]1CC2
InChIInChI=1S/C20H24N2O3/c1-25-19-8-6-13(23)12-17(19)22-11-10-20(16(22)7-9-19)14-4-2-3-5-15(14)21-18(20)24/h2-5,16-17H,6-12H2,1H3,(H,21,24)/t16-,17+,19-,20?/m0/s1
InChIKeyAXWXEEMCCKBALE-ZCQXEVHSSA-N
MW340.42 g/mol
LogP2.25
Rot. Bonds1

About (3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione

(3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione (PubChem CID 146319555) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione.

Molecular Properties

Compound Name(3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione
PubChem CID146319555
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione
SMILESCO[C@]12CCC(=O)C[C@H]1N1CCC3(C(=O)Nc4ccccc43)[C@@H]1CC2
InChIInChI=1S/C20H24N2O3/c1-25-19-8-6-13(23)12-17(19)22-11-10-20(16(22)7-9-19)14-4-2-3-5-15(14)21-18(20)24/h2-5,16-17H,6-12H2,1H3,(H,21,24)/t16-,17+,19-,20?/m0/s1
InChIKeyAXWXEEMCCKBALE-ZCQXEVHSSA-N
XLogP2.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione?
The IUPAC name of (3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione (CID 146319555) is (3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione.
What is the SMILES notation for (3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione?
The canonical SMILES for (3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione is CO[C@]12CCC(=O)C[C@H]1N1CCC3(C(=O)Nc4ccccc43)[C@@H]1CC2.
What is the InChIKey of (3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione?
The InChIKey is AXWXEEMCCKBALE-ZCQXEVHSSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-25-19-8-6-13(23)12-17(19)22-11-10-20(16(22)7-9-19)14-4-2-3-5-15(14)21-18(20)24/h2-5,16-17H,6-12H2,1H3,(H,21,24)/t16-,17+,19-,20?/m0/s1.
What are the key properties of (3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione?
(3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione has a molecular weight of 340.42 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione is sourced from PubChem (CID 146319555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).