5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione

C31H40N3O2Si- — CID 137328510

IUPAC5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione
SMILESO=C1CC2C3CCC(C3)C2C(=O)CC1CC[CH-]C([SiH3])N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C31H40N3O2Si/c35-26-19-23-20-10-11-22(17-20)30(23)27(36)18-21(26)5-3-9-29(37)33-15-12-31(13-16-33)28-8-4-14-34(28)25-7-2-1-6-24(25)32-31/h1-2,4,6-9,14,20-23,29-30,32H,3,5,10-13,15-19H2,37H3/q-1
InChIKeyPSGVSXQSDMXRNP-UHFFFAOYSA-N
MW514.77 g/mol
LogP4.08
Rot. Bonds5

About 5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione

5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione (PubChem CID 137328510) has the molecular formula C31H40N3O2Si- and a molecular weight of 514.77 g/mol. Its IUPAC name is 5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione.

Molecular Properties

Compound Name5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione
PubChem CID137328510
Molecular FormulaC31H40N3O2Si-
Molecular Weight514.77 g/mol
Exact Mass514.29
IUPAC Name5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione
SMILESO=C1CC2C3CCC(C3)C2C(=O)CC1CC[CH-]C([SiH3])N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C31H40N3O2Si/c35-26-19-23-20-10-11-22(17-20)30(23)27(36)18-21(26)5-3-9-29(37)33-15-12-31(13-16-33)28-8-4-14-34(28)25-7-2-1-6-24(25)32-31/h1-2,4,6-9,14,20-23,29-30,32H,3,5,10-13,15-19H2,37H3/q-1
InChIKeyPSGVSXQSDMXRNP-UHFFFAOYSA-N
XLogP4.08
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.77
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione?
The IUPAC name of 5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione (CID 137328510) is 5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione.
What is the SMILES notation for 5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione?
The canonical SMILES for 5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione is O=C1CC2C3CCC(C3)C2C(=O)CC1CC[CH-]C([SiH3])N1CCC2(CC1)Nc1ccccc1-n1cccc12.
What is the InChIKey of 5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione?
The InChIKey is PSGVSXQSDMXRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N3O2Si/c35-26-19-23-20-10-11-22(17-20)30(23)27(36)18-21(26)5-3-9-29(37)33-15-12-31(13-16-33)28-8-4-14-34(28)25-7-2-1-6-24(25)32-31/h1-2,4,6-9,14,20-23,29-30,32H,3,5,10-13,15-19H2,37H3/q-1.
What are the key properties of 5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione?
5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione has a molecular weight of 514.77 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-silyl-4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylbutyl)tricyclo[7.2.1.02,8]dodecane-3,6-dione is sourced from PubChem (CID 137328510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).