3-[1-tri(propan-2-yl)silylpyrrol-3-yl]cyclohexan-1-one

C19H33NOSi — CID 11551486

IUPAC3-[1-tri(propan-2-yl)silylpyrrol-3-yl]cyclohexan-1-one
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(C2CCCC(=O)C2)c1
InChIInChI=1S/C19H33NOSi/c1-14(2)22(15(3)4,16(5)6)20-11-10-18(13-20)17-8-7-9-19(21)12-17/h10-11,13-17H,7-9,12H2,1-6H3
InChIKeyKNEMMCVSXNIOJH-UHFFFAOYSA-N
MW319.57 g/mol
LogP5.74
Rot. Bonds5

About 3-[1-tri(propan-2-yl)silylpyrrol-3-yl]cyclohexan-1-one

3-[1-tri(propan-2-yl)silylpyrrol-3-yl]cyclohexan-1-one (PubChem CID 11551486) has the molecular formula C19H33NOSi and a molecular weight of 319.57 g/mol. Its IUPAC name is 3-[1-tri(propan-2-yl)silylpyrrol-3-yl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[1-tri(propan-2-yl)silylpyrrol-3-yl]cyclohexan-1-one
PubChem CID11551486
Molecular FormulaC19H33NOSi
Molecular Weight319.57 g/mol
Exact Mass319.23
IUPAC Name3-[1-tri(propan-2-yl)silylpyrrol-3-yl]cyclohexan-1-one
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(C2CCCC(=O)C2)c1
InChIInChI=1S/C19H33NOSi/c1-14(2)22(15(3)4,16(5)6)20-11-10-18(13-20)17-8-7-9-19(21)12-17/h10-11,13-17H,7-9,12H2,1-6H3
InChIKeyKNEMMCVSXNIOJH-UHFFFAOYSA-N
XLogP5.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.57
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-tri(propan-2-yl)silylpyrrol-3-yl]cyclohexan-1-one?
The IUPAC name of 3-[1-tri(propan-2-yl)silylpyrrol-3-yl]cyclohexan-1-one (CID 11551486) is 3-[1-tri(propan-2-yl)silylpyrrol-3-yl]cyclohexan-1-one.
What is the SMILES notation for 3-[1-tri(propan-2-yl)silylpyrrol-3-yl]cyclohexan-1-one?
The canonical SMILES for 3-[1-tri(propan-2-yl)silylpyrrol-3-yl]cyclohexan-1-one is CC(C)[Si](C(C)C)(C(C)C)n1ccc(C2CCCC(=O)C2)c1.
What is the InChIKey of 3-[1-tri(propan-2-yl)silylpyrrol-3-yl]cyclohexan-1-one?
The InChIKey is KNEMMCVSXNIOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NOSi/c1-14(2)22(15(3)4,16(5)6)20-11-10-18(13-20)17-8-7-9-19(21)12-17/h10-11,13-17H,7-9,12H2,1-6H3.
What are the key properties of 3-[1-tri(propan-2-yl)silylpyrrol-3-yl]cyclohexan-1-one?
3-[1-tri(propan-2-yl)silylpyrrol-3-yl]cyclohexan-1-one has a molecular weight of 319.57 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-tri(propan-2-yl)silylpyrrol-3-yl]cyclohexan-1-one is sourced from PubChem (CID 11551486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).