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

C19H23N3O2 — CID 3746485

IUPAC5,7-diethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
SMILESCCC12CN3CC(CC)(CN(C1)C31C(=O)Nc3ccccc31)C2=O
InChIInChI=1S/C19H23N3O2/c1-3-17-9-21-11-18(4-2,15(17)23)12-22(10-17)19(21)13-7-5-6-8-14(13)20-16(19)24/h5-8H,3-4,9-12H2,1-2H3,(H,20,24)
InChIKeyCKPWGLORZKQNIU-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.80
Rot. Bonds2

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

5,7-diethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione (PubChem CID 3746485) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5,7-diethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione.

Molecular Properties

Compound Name5,7-diethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
PubChem CID3746485
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5,7-diethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
SMILESCCC12CN3CC(CC)(CN(C1)C31C(=O)Nc3ccccc31)C2=O
InChIInChI=1S/C19H23N3O2/c1-3-17-9-21-11-18(4-2,15(17)23)12-22(10-17)19(21)13-7-5-6-8-14(13)20-16(19)24/h5-8H,3-4,9-12H2,1-2H3,(H,20,24)
InChIKeyCKPWGLORZKQNIU-UHFFFAOYSA-N
XLogP1.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-diethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The IUPAC name of 5,7-diethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione (CID 3746485) is 5,7-diethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione.
What is the SMILES notation for 5,7-diethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The canonical SMILES for 5,7-diethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione is CCC12CN3CC(CC)(CN(C1)C31C(=O)Nc3ccccc31)C2=O.
What is the InChIKey of 5,7-diethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The InChIKey is CKPWGLORZKQNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-17-9-21-11-18(4-2,15(17)23)12-22(10-17)19(21)13-7-5-6-8-14(13)20-16(19)24/h5-8H,3-4,9-12H2,1-2H3,(H,20,24).
What are the key properties of 5,7-diethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
5,7-diethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione has a molecular weight of 325.41 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione is sourced from PubChem (CID 3746485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).