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

C18H21N3O2 — CID 752242

IUPAC5,5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
SMILESCc1ccc2c(c1)C1(C(=O)N2)N2CC3(C)CN1CC(C)(C2)C3=O
InChIInChI=1S/C18H21N3O2/c1-11-4-5-13-12(6-11)18(15(23)19-13)20-7-16(2)8-21(18)10-17(3,9-20)14(16)22/h4-6H,7-10H2,1-3H3,(H,19,23)
InChIKeyQDECVVHDLXRULP-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.33
Rot. Bonds

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

5,5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione (PubChem CID 752242) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5,5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione.

Molecular Properties

Compound Name5,5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
PubChem CID752242
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name5,5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
SMILESCc1ccc2c(c1)C1(C(=O)N2)N2CC3(C)CN1CC(C)(C2)C3=O
InChIInChI=1S/C18H21N3O2/c1-11-4-5-13-12(6-11)18(15(23)19-13)20-7-16(2)8-21(18)10-17(3,9-20)14(16)22/h4-6H,7-10H2,1-3H3,(H,19,23)
InChIKeyQDECVVHDLXRULP-UHFFFAOYSA-N
XLogP1.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The IUPAC name of 5,5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione (CID 752242) is 5,5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione.
What is the SMILES notation for 5,5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The canonical SMILES for 5,5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione is Cc1ccc2c(c1)C1(C(=O)N2)N2CC3(C)CN1CC(C)(C2)C3=O.
What is the InChIKey of 5,5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The InChIKey is QDECVVHDLXRULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-4-5-13-12(6-11)18(15(23)19-13)20-7-16(2)8-21(18)10-17(3,9-20)14(16)22/h4-6H,7-10H2,1-3H3,(H,19,23).
What are the key properties of 5,5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
5,5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione has a molecular weight of 311.38 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione is sourced from PubChem (CID 752242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).