9-acetyl-4-trimethylsilyloxy-4,9a-dihydro-1H-carbazole-4a-carbaldehyde

C18H23NO3Si — CID 132839073

IUPAC9-acetyl-4-trimethylsilyloxy-4,9a-dihydro-1H-carbazole-4a-carbaldehyde
SMILESCC(=O)N1c2ccccc2C2(C=O)C(O[Si](C)(C)C)C=CCC12
InChIInChI=1S/C18H23NO3Si/c1-13(21)19-15-9-6-5-8-14(15)18(12-20)16(19)10-7-11-17(18)22-23(2,3)4/h5-9,11-12,16-17H,10H2,1-4H3
InChIKeyIDUPHFXFKQESNW-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.04
Rot. Bonds3

About 9-acetyl-4-trimethylsilyloxy-4,9a-dihydro-1H-carbazole-4a-carbaldehyde

9-acetyl-4-trimethylsilyloxy-4,9a-dihydro-1H-carbazole-4a-carbaldehyde (PubChem CID 132839073) has the molecular formula C18H23NO3Si and a molecular weight of 329.47 g/mol. Its IUPAC name is 9-acetyl-4-trimethylsilyloxy-4,9a-dihydro-1H-carbazole-4a-carbaldehyde.

Molecular Properties

Compound Name9-acetyl-4-trimethylsilyloxy-4,9a-dihydro-1H-carbazole-4a-carbaldehyde
PubChem CID132839073
Molecular FormulaC18H23NO3Si
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name9-acetyl-4-trimethylsilyloxy-4,9a-dihydro-1H-carbazole-4a-carbaldehyde
SMILESCC(=O)N1c2ccccc2C2(C=O)C(O[Si](C)(C)C)C=CCC12
InChIInChI=1S/C18H23NO3Si/c1-13(21)19-15-9-6-5-8-14(15)18(12-20)16(19)10-7-11-17(18)22-23(2,3)4/h5-9,11-12,16-17H,10H2,1-4H3
InChIKeyIDUPHFXFKQESNW-UHFFFAOYSA-N
XLogP3.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-acetyl-4-trimethylsilyloxy-4,9a-dihydro-1H-carbazole-4a-carbaldehyde?
The IUPAC name of 9-acetyl-4-trimethylsilyloxy-4,9a-dihydro-1H-carbazole-4a-carbaldehyde (CID 132839073) is 9-acetyl-4-trimethylsilyloxy-4,9a-dihydro-1H-carbazole-4a-carbaldehyde.
What is the SMILES notation for 9-acetyl-4-trimethylsilyloxy-4,9a-dihydro-1H-carbazole-4a-carbaldehyde?
The canonical SMILES for 9-acetyl-4-trimethylsilyloxy-4,9a-dihydro-1H-carbazole-4a-carbaldehyde is CC(=O)N1c2ccccc2C2(C=O)C(O[Si](C)(C)C)C=CCC12.
What is the InChIKey of 9-acetyl-4-trimethylsilyloxy-4,9a-dihydro-1H-carbazole-4a-carbaldehyde?
The InChIKey is IDUPHFXFKQESNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3Si/c1-13(21)19-15-9-6-5-8-14(15)18(12-20)16(19)10-7-11-17(18)22-23(2,3)4/h5-9,11-12,16-17H,10H2,1-4H3.
What are the key properties of 9-acetyl-4-trimethylsilyloxy-4,9a-dihydro-1H-carbazole-4a-carbaldehyde?
9-acetyl-4-trimethylsilyloxy-4,9a-dihydro-1H-carbazole-4a-carbaldehyde has a molecular weight of 329.47 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-4-trimethylsilyloxy-4,9a-dihydro-1H-carbazole-4a-carbaldehyde is sourced from PubChem (CID 132839073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).