(4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one

C24H27NO3Si — CID 139183312

IUPAC(4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2=C(O)C(=O)C[C@@]23C=Nc2ccccc23)cc1
InChIInChI=1S/C24H27NO3Si/c1-23(2,3)29(4,5)28-17-12-10-16(11-13-17)21-22(27)20(26)14-24(21)15-25-19-9-7-6-8-18(19)24/h6-13,15,27H,14H2,1-5H3/t24-/m0/s1
InChIKeyHSNCZBYWMQWDBR-DEOSSOPVSA-N
MW405.57 g/mol
LogP5.97
Rot. Bonds3

About (4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one

(4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one (PubChem CID 139183312) has the molecular formula C24H27NO3Si and a molecular weight of 405.57 g/mol. Its IUPAC name is (4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one.

Molecular Properties

Compound Name(4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one
PubChem CID139183312
Molecular FormulaC24H27NO3Si
Molecular Weight405.57 g/mol
Exact Mass405.18
IUPAC Name(4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2=C(O)C(=O)C[C@@]23C=Nc2ccccc23)cc1
InChIInChI=1S/C24H27NO3Si/c1-23(2,3)29(4,5)28-17-12-10-16(11-13-17)21-22(27)20(26)14-24(21)15-25-19-9-7-6-8-18(19)24/h6-13,15,27H,14H2,1-5H3/t24-/m0/s1
InChIKeyHSNCZBYWMQWDBR-DEOSSOPVSA-N
XLogP5.97
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.57
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one 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 (4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one?
The IUPAC name of (4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one (CID 139183312) is (4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one.
What is the SMILES notation for (4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one?
The canonical SMILES for (4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one is CC(C)(C)[Si](C)(C)Oc1ccc(C2=C(O)C(=O)C[C@@]23C=Nc2ccccc23)cc1.
What is the InChIKey of (4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one?
The InChIKey is HSNCZBYWMQWDBR-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27NO3Si/c1-23(2,3)29(4,5)28-17-12-10-16(11-13-17)21-22(27)20(26)14-24(21)15-25-19-9-7-6-8-18(19)24/h6-13,15,27H,14H2,1-5H3/t24-/m0/s1.
What are the key properties of (4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one?
(4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one has a molecular weight of 405.57 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one is sourced from PubChem (CID 139183312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).