2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde

C10H15NO5Si — CID 174796218

IUPAC2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde
SMILESCO[Si](Cn1cccc1C(=O)C=O)(OC)OC
InChIInChI=1S/C10H15NO5Si/c1-14-17(15-2,16-3)8-11-6-4-5-9(11)10(13)7-12/h4-7H,8H2,1-3H3
InChIKeyPAUQHGDLNOWMCM-UHFFFAOYSA-N
MW257.32 g/mol
LogP0.29
Rot. Bonds7

About 2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde

2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde (PubChem CID 174796218) has the molecular formula C10H15NO5Si and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde
PubChem CID174796218
Molecular FormulaC10H15NO5Si
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde
SMILESCO[Si](Cn1cccc1C(=O)C=O)(OC)OC
InChIInChI=1S/C10H15NO5Si/c1-14-17(15-2,16-3)8-11-6-4-5-9(11)10(13)7-12/h4-7H,8H2,1-3H3
InChIKeyPAUQHGDLNOWMCM-UHFFFAOYSA-N
XLogP0.29
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde 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 2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde?
The IUPAC name of 2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde (CID 174796218) is 2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde.
What is the SMILES notation for 2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde?
The canonical SMILES for 2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde is CO[Si](Cn1cccc1C(=O)C=O)(OC)OC.
What is the InChIKey of 2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde?
The InChIKey is PAUQHGDLNOWMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5Si/c1-14-17(15-2,16-3)8-11-6-4-5-9(11)10(13)7-12/h4-7H,8H2,1-3H3.
What are the key properties of 2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde?
2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde has a molecular weight of 257.32 g/mol, XLogP of 0.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[1-(trimethoxysilylmethyl)pyrrol-2-yl]acetaldehyde is sourced from PubChem (CID 174796218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).