2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one

C20H26N2O — CID 73157975

IUPAC2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one
SMILESCC1(C)NC2CC3(C(=O)Nc4ccccc43)C3(C)CCC1CC23
InChIInChI=1S/C20H26N2O/c1-18(2)12-8-9-19(3)14(10-12)16(22-18)11-20(19)13-6-4-5-7-15(13)21-17(20)23/h4-7,12,14,16,22H,8-11H2,1-3H3,(H,21,23)
InChIKeyZYZIAUTYRXFEJC-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.45
Rot. Bonds

About 2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one

2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one (PubChem CID 73157975) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one.

Molecular Properties

Compound Name2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one
PubChem CID73157975
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one
SMILESCC1(C)NC2CC3(C(=O)Nc4ccccc43)C3(C)CCC1CC23
InChIInChI=1S/C20H26N2O/c1-18(2)12-8-9-19(3)14(10-12)16(22-18)11-20(19)13-6-4-5-7-15(13)21-17(20)23/h4-7,12,14,16,22H,8-11H2,1-3H3,(H,21,23)
InChIKeyZYZIAUTYRXFEJC-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one?
The IUPAC name of 2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one (CID 73157975) is 2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one.
What is the SMILES notation for 2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one?
The canonical SMILES for 2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one is CC1(C)NC2CC3(C(=O)Nc4ccccc43)C3(C)CCC1CC23.
What is the InChIKey of 2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one?
The InChIKey is ZYZIAUTYRXFEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-18(2)12-8-9-19(3)14(10-12)16(22-18)11-20(19)13-6-4-5-7-15(13)21-17(20)23/h4-7,12,14,16,22H,8-11H2,1-3H3,(H,21,23).
What are the key properties of 2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one?
2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one has a molecular weight of 310.44 g/mol, XLogP of 3.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one is sourced from PubChem (CID 73157975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).