5'-[(E)-prop-1-enyl]-1'-prop-2-enyl-2'-[2-tri(propan-2-yl)silylethynyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

C28H40N2OSi — CID 11676741

IUPAC5'-[(E)-prop-1-enyl]-1'-prop-2-enyl-2'-[2-tri(propan-2-yl)silylethynyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESC=CCN1C(/C=C/C)CC2(C(=O)Nc3ccccc32)C1C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H40N2OSi/c1-9-13-23-19-28(24-14-11-12-15-25(24)29-27(28)31)26(30(23)17-10-2)16-18-32(20(3)4,21(5)6)22(7)8/h9-15,20-23,26H,2,17,19H2,1,3-8H3,(H,29,31)/b13-9+
InChIKeyGXZJDMBHLCRHAL-UKTHLTGXSA-N
MW448.73 g/mol
LogP6.30
Rot. Bonds6

About 5'-[(E)-prop-1-enyl]-1'-prop-2-enyl-2'-[2-tri(propan-2-yl)silylethynyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

5'-[(E)-prop-1-enyl]-1'-prop-2-enyl-2'-[2-tri(propan-2-yl)silylethynyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 11676741) has the molecular formula C28H40N2OSi and a molecular weight of 448.73 g/mol. Its IUPAC name is 5'-[(E)-prop-1-enyl]-1'-prop-2-enyl-2'-[2-tri(propan-2-yl)silylethynyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name5'-[(E)-prop-1-enyl]-1'-prop-2-enyl-2'-[2-tri(propan-2-yl)silylethynyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID11676741
Molecular FormulaC28H40N2OSi
Molecular Weight448.73 g/mol
Exact Mass448.29
IUPAC Name5'-[(E)-prop-1-enyl]-1'-prop-2-enyl-2'-[2-tri(propan-2-yl)silylethynyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESC=CCN1C(/C=C/C)CC2(C(=O)Nc3ccccc32)C1C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H40N2OSi/c1-9-13-23-19-28(24-14-11-12-15-25(24)29-27(28)31)26(30(23)17-10-2)16-18-32(20(3)4,21(5)6)22(7)8/h9-15,20-23,26H,2,17,19H2,1,3-8H3,(H,29,31)/b13-9+
InChIKeyGXZJDMBHLCRHAL-UKTHLTGXSA-N
XLogP6.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.73
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5'-[(E)-prop-1-enyl]-1'-prop-2-enyl-2'-[2-tri(propan-2-yl)silylethynyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 5'-[(E)-prop-1-enyl]-1'-prop-2-enyl-2'-[2-tri(propan-2-yl)silylethynyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 11676741) is 5'-[(E)-prop-1-enyl]-1'-prop-2-enyl-2'-[2-tri(propan-2-yl)silylethynyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 5'-[(E)-prop-1-enyl]-1'-prop-2-enyl-2'-[2-tri(propan-2-yl)silylethynyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 5'-[(E)-prop-1-enyl]-1'-prop-2-enyl-2'-[2-tri(propan-2-yl)silylethynyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is C=CCN1C(/C=C/C)CC2(C(=O)Nc3ccccc32)C1C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 5'-[(E)-prop-1-enyl]-1'-prop-2-enyl-2'-[2-tri(propan-2-yl)silylethynyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is GXZJDMBHLCRHAL-UKTHLTGXSA-N. The full InChI is InChI=1S/C28H40N2OSi/c1-9-13-23-19-28(24-14-11-12-15-25(24)29-27(28)31)26(30(23)17-10-2)16-18-32(20(3)4,21(5)6)22(7)8/h9-15,20-23,26H,2,17,19H2,1,3-8H3,(H,29,31)/b13-9+.
What are the key properties of 5'-[(E)-prop-1-enyl]-1'-prop-2-enyl-2'-[2-tri(propan-2-yl)silylethynyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
5'-[(E)-prop-1-enyl]-1'-prop-2-enyl-2'-[2-tri(propan-2-yl)silylethynyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 448.73 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[(E)-prop-1-enyl]-1'-prop-2-enyl-2'-[2-tri(propan-2-yl)silylethynyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 11676741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).