5,5'-dimethyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione

C20H25N3O2 — CID 907670

IUPAC5,5'-dimethyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
SMILESCCCC12CN3CC(C)(CN(C1)C31C(=O)Nc3ccc(C)cc31)C2=O
InChIInChI=1S/C20H25N3O2/c1-4-7-19-11-22-9-18(3,16(19)24)10-23(12-19)20(22)14-8-13(2)5-6-15(14)21-17(20)25/h5-6,8H,4,7,9-12H2,1-3H3,(H,21,25)
InChIKeyZOGPHOWVKSMFJZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.11
Rot. Bonds2

About 5,5'-dimethyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione

5,5'-dimethyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione (PubChem CID 907670) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5,5'-dimethyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione.

Molecular Properties

Compound Name5,5'-dimethyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
PubChem CID907670
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5,5'-dimethyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
SMILESCCCC12CN3CC(C)(CN(C1)C31C(=O)Nc3ccc(C)cc31)C2=O
InChIInChI=1S/C20H25N3O2/c1-4-7-19-11-22-9-18(3,16(19)24)10-23(12-19)20(22)14-8-13(2)5-6-15(14)21-17(20)25/h5-6,8H,4,7,9-12H2,1-3H3,(H,21,25)
InChIKeyZOGPHOWVKSMFJZ-UHFFFAOYSA-N
XLogP2.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5'-dimethyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The IUPAC name of 5,5'-dimethyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione (CID 907670) is 5,5'-dimethyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione.
What is the SMILES notation for 5,5'-dimethyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The canonical SMILES for 5,5'-dimethyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione is CCCC12CN3CC(C)(CN(C1)C31C(=O)Nc3ccc(C)cc31)C2=O.
What is the InChIKey of 5,5'-dimethyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The InChIKey is ZOGPHOWVKSMFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-7-19-11-22-9-18(3,16(19)24)10-23(12-19)20(22)14-8-13(2)5-6-15(14)21-17(20)25/h5-6,8H,4,7,9-12H2,1-3H3,(H,21,25).
What are the key properties of 5,5'-dimethyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
5,5'-dimethyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione has a molecular weight of 339.44 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-dimethyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione is sourced from PubChem (CID 907670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).