(3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione

C20H23N3O3 — CID 122372169

IUPAC(3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione
SMILESCCC[C@@H]1N2C(=O)[C@@H]3CCCN3C(=O)[C@@H]2C[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C20H23N3O3/c1-2-6-16-20(12-7-3-4-8-13(12)21-19(20)26)11-15-17(24)22-10-5-9-14(22)18(25)23(15)16/h3-4,7-8,14-16H,2,5-6,9-11H2,1H3,(H,21,26)/t14-,15-,16-,20-/m0/s1
InChIKeyRVLIKKNMJULBGD-ULMVMLMRSA-N
MW353.42 g/mol
LogP1.65
Rot. Bonds2

About (3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione

(3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione (PubChem CID 122372169) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione.

Molecular Properties

Compound Name(3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione
PubChem CID122372169
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione
SMILESCCC[C@@H]1N2C(=O)[C@@H]3CCCN3C(=O)[C@@H]2C[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C20H23N3O3/c1-2-6-16-20(12-7-3-4-8-13(12)21-19(20)26)11-15-17(24)22-10-5-9-14(22)18(25)23(15)16/h3-4,7-8,14-16H,2,5-6,9-11H2,1H3,(H,21,26)/t14-,15-,16-,20-/m0/s1
InChIKeyRVLIKKNMJULBGD-ULMVMLMRSA-N
XLogP1.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione?
The IUPAC name of (3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione (CID 122372169) is (3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione.
What is the SMILES notation for (3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione?
The canonical SMILES for (3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione is CCC[C@@H]1N2C(=O)[C@@H]3CCCN3C(=O)[C@@H]2C[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione?
The InChIKey is RVLIKKNMJULBGD-ULMVMLMRSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-6-16-20(12-7-3-4-8-13(12)21-19(20)26)11-15-17(24)22-10-5-9-14(22)18(25)23(15)16/h3-4,7-8,14-16H,2,5-6,9-11H2,1H3,(H,21,26)/t14-,15-,16-,20-/m0/s1.
What are the key properties of (3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione?
(3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione has a molecular weight of 353.42 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione is sourced from PubChem (CID 122372169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).