bis[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone

C27H48N2OSi2 — CID 10254240

IUPACbis[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(C(=O)c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c1
InChIInChI=1S/C27H48N2OSi2/c1-19(2)31(20(3)4,21(5)6)28-15-13-25(17-28)27(30)26-14-16-29(18-26)32(22(7)8,23(9)10)24(11)12/h13-24H,1-12H3
InChIKeyMXMWALNHAHBBIU-UHFFFAOYSA-N
MW472.87 g/mol
LogP8.57
Rot. Bonds10

About bis[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone

bis[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone (PubChem CID 10254240) has the molecular formula C27H48N2OSi2 and a molecular weight of 472.87 g/mol. Its IUPAC name is bis[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone.

Molecular Properties

Compound Namebis[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone
PubChem CID10254240
Molecular FormulaC27H48N2OSi2
Molecular Weight472.87 g/mol
Exact Mass472.33
IUPAC Namebis[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(C(=O)c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c1
InChIInChI=1S/C27H48N2OSi2/c1-19(2)31(20(3)4,21(5)6)28-15-13-25(17-28)27(30)26-14-16-29(18-26)32(22(7)8,23(9)10)24(11)12/h13-24H,1-12H3
InChIKeyMXMWALNHAHBBIU-UHFFFAOYSA-N
XLogP8.57
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.87
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Triisopropylsilyl-3-acetylpyrrole
CID 14247121
1-[1-(2-Trimethylsilylethoxymethyl)pyrrol-3-yl]ethanone
CID 135079828
(4-Fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone
CID 18363448
1-t-Butyldimethylsilyl-3-acetylpyrrole
CID 13525941
1-[2-[Dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone
CID 15486447
1-(1-Methyl-2-trimethylsilylpyrrol-3-yl)ethanone
CID 134844910
2,2,2-trifluoro-1-{1-[tris(propan-2-yl)silyl]-1H-pyrrol-3-yl}ethan-1-one
CID 14890894
2,2-Difluoro-1-[1-(triisopropylsilyl)-1H-pyrrol-3-yl]ethanone
CID 177817475
1-(1-Methyl-1H-pyrrol-3-yl)butan-1-one
CID 12519698
1-(1-Methylpyrrol-3-yl)propan-1-one
CID 20789486
Bis(1-methylpyrrol-3-yl)methanone
CID 21485086
(1-Methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone
CID 22905594

Frequently Asked Questions

What is the IUPAC name of bis[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone?
The IUPAC name of bis[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone (CID 10254240) is bis[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone.
What is the SMILES notation for bis[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone?
The canonical SMILES for bis[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone is CC(C)[Si](C(C)C)(C(C)C)n1ccc(C(=O)c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c1.
What is the InChIKey of bis[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone?
The InChIKey is MXMWALNHAHBBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2OSi2/c1-19(2)31(20(3)4,21(5)6)28-15-13-25(17-28)27(30)26-14-16-29(18-26)32(22(7)8,23(9)10)24(11)12/h13-24H,1-12H3.
What are the key properties of bis[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone?
bis[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone has a molecular weight of 472.87 g/mol, XLogP of 8.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone is sourced from PubChem (CID 10254240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).