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

C21H27N3O2 — CID 665872

IUPAC5,7-diethyl-1',5'-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
SMILESCCC12CN3CC(CC)(CN(C1)C31C(=O)N(C)c3ccc(C)cc31)C2=O
InChIInChI=1S/C21H27N3O2/c1-5-19-10-23-12-20(6-2,17(19)25)13-24(11-19)21(23)15-9-14(3)7-8-16(15)22(4)18(21)26/h7-9H,5-6,10-13H2,1-4H3
InChIKeyGDHKAPVLGLPBQH-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.13
Rot. Bonds2

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

5,7-diethyl-1',5'-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione (PubChem CID 665872) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5,7-diethyl-1',5'-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione.

Molecular Properties

Compound Name5,7-diethyl-1',5'-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
PubChem CID665872
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name5,7-diethyl-1',5'-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
SMILESCCC12CN3CC(CC)(CN(C1)C31C(=O)N(C)c3ccc(C)cc31)C2=O
InChIInChI=1S/C21H27N3O2/c1-5-19-10-23-12-20(6-2,17(19)25)13-24(11-19)21(23)15-9-14(3)7-8-16(15)22(4)18(21)26/h7-9H,5-6,10-13H2,1-4H3
InChIKeyGDHKAPVLGLPBQH-UHFFFAOYSA-N
XLogP2.13
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-1',5'-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The IUPAC name of 5,7-diethyl-1',5'-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione (CID 665872) is 5,7-diethyl-1',5'-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione.
What is the SMILES notation for 5,7-diethyl-1',5'-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The canonical SMILES for 5,7-diethyl-1',5'-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione is CCC12CN3CC(CC)(CN(C1)C31C(=O)N(C)c3ccc(C)cc31)C2=O.
What is the InChIKey of 5,7-diethyl-1',5'-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The InChIKey is GDHKAPVLGLPBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-19-10-23-12-20(6-2,17(19)25)13-24(11-19)21(23)15-9-14(3)7-8-16(15)22(4)18(21)26/h7-9H,5-6,10-13H2,1-4H3.
What are the key properties of 5,7-diethyl-1',5'-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
5,7-diethyl-1',5'-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione has a molecular weight of 353.47 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-1',5'-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione is sourced from PubChem (CID 665872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).