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

C20H25N3O2 — CID 702963

IUPAC5,7-dimethyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
SMILESCCCN1C(=O)C2(c3ccccc31)N1CC3(C)CN2CC(C)(C1)C3=O
InChIInChI=1S/C20H25N3O2/c1-4-9-23-15-8-6-5-7-14(15)20(17(23)25)21-10-18(2)11-22(20)13-19(3,12-21)16(18)24/h5-8H,4,9-13H2,1-3H3
InChIKeyDHUPXYDROXUBOS-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.82
Rot. Bonds2

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

5,7-dimethyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione (PubChem CID 702963) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5,7-dimethyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione.

Molecular Properties

Compound Name5,7-dimethyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
PubChem CID702963
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5,7-dimethyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
SMILESCCCN1C(=O)C2(c3ccccc31)N1CC3(C)CN2CC(C)(C1)C3=O
InChIInChI=1S/C20H25N3O2/c1-4-9-23-15-8-6-5-7-14(15)20(17(23)25)21-10-18(2)11-22(20)13-19(3,12-21)16(18)24/h5-8H,4,9-13H2,1-3H3
InChIKeyDHUPXYDROXUBOS-UHFFFAOYSA-N
XLogP1.82
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The IUPAC name of 5,7-dimethyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione (CID 702963) is 5,7-dimethyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione.
What is the SMILES notation for 5,7-dimethyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The canonical SMILES for 5,7-dimethyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione is CCCN1C(=O)C2(c3ccccc31)N1CC3(C)CN2CC(C)(C1)C3=O.
What is the InChIKey of 5,7-dimethyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The InChIKey is DHUPXYDROXUBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-9-23-15-8-6-5-7-14(15)20(17(23)25)21-10-18(2)11-22(20)13-19(3,12-21)16(18)24/h5-8H,4,9-13H2,1-3H3.
What are the key properties of 5,7-dimethyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
5,7-dimethyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione has a molecular weight of 339.44 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione is sourced from PubChem (CID 702963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).