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

C18H21N3O2 — CID 720481

IUPAC1',5,7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
SMILESCN1C(=O)C2(c3ccccc31)N1CC3(C)CN2CC(C)(C1)C3=O
InChIInChI=1S/C18H21N3O2/c1-16-8-20-10-17(2,14(16)22)11-21(9-16)18(20)12-6-4-5-7-13(12)19(3)15(18)23/h4-7H,8-11H2,1-3H3
InChIKeySPVLWLRVLYBEGM-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.04
Rot. Bonds

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

1',5,7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione (PubChem CID 720481) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1',5,7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione.

Molecular Properties

Compound Name1',5,7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
PubChem CID720481
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1',5,7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
SMILESCN1C(=O)C2(c3ccccc31)N1CC3(C)CN2CC(C)(C1)C3=O
InChIInChI=1S/C18H21N3O2/c1-16-8-20-10-17(2,14(16)22)11-21(9-16)18(20)12-6-4-5-7-13(12)19(3)15(18)23/h4-7H,8-11H2,1-3H3
InChIKeySPVLWLRVLYBEGM-UHFFFAOYSA-N
XLogP1.04
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1',5,7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The IUPAC name of 1',5,7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione (CID 720481) is 1',5,7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione.
What is the SMILES notation for 1',5,7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The canonical SMILES for 1',5,7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione is CN1C(=O)C2(c3ccccc31)N1CC3(C)CN2CC(C)(C1)C3=O.
What is the InChIKey of 1',5,7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The InChIKey is SPVLWLRVLYBEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-16-8-20-10-17(2,14(16)22)11-21(9-16)18(20)12-6-4-5-7-13(12)19(3)15(18)23/h4-7H,8-11H2,1-3H3.
What are the key properties of 1',5,7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
1',5,7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione has a molecular weight of 311.38 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5,7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione is sourced from PubChem (CID 720481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).