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

C19H28N2OSi — CID 5136133

IUPACpyridin-2-yl-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(C(=O)c2ccccn2)c1
InChIInChI=1S/C19H28N2OSi/c1-14(2)23(15(3)4,16(5)6)21-12-10-17(13-21)19(22)18-9-7-8-11-20-18/h7-16H,1-6H3
InChIKeyRZLWPKDSHNHUSN-UHFFFAOYSA-N
MW328.53 g/mol
LogP5.14
Rot. Bonds6

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

pyridin-2-yl-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone (PubChem CID 5136133) has the molecular formula C19H28N2OSi and a molecular weight of 328.53 g/mol. Its IUPAC name is pyridin-2-yl-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone
PubChem CID5136133
Molecular FormulaC19H28N2OSi
Molecular Weight328.53 g/mol
Exact Mass328.20
IUPAC Namepyridin-2-yl-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(C(=O)c2ccccn2)c1
InChIInChI=1S/C19H28N2OSi/c1-14(2)23(15(3)4,16(5)6)21-12-10-17(13-21)19(22)18-9-7-8-11-20-18/h7-16H,1-6H3
InChIKeyRZLWPKDSHNHUSN-UHFFFAOYSA-N
XLogP5.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.53
LogP ≤ 55.14
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

(3,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 24723586
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
CID 173156131
CID 173156131
(6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone
CID 59744024
copper;bis(phenyl(pyridin-2-yl)methanone);diisothiocyanate
CID 139144534
(3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide
CID 3015591
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
ethane;pyridine-2-carbonyl chloride
CID 158598971
gadolinium;pyridine-2-carboxylic acid
CID 175231422
(2-propylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 63976118
[3-[1-(1-methylcyclohexyl)ethyl]phenyl]-pyridin-2-ylmethanone
CID 140585174

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone?
The IUPAC name of pyridin-2-yl-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone (CID 5136133) is pyridin-2-yl-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone?
The canonical SMILES for pyridin-2-yl-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone is CC(C)[Si](C(C)C)(C(C)C)n1ccc(C(=O)c2ccccn2)c1.
What is the InChIKey of pyridin-2-yl-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone?
The InChIKey is RZLWPKDSHNHUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2OSi/c1-14(2)23(15(3)4,16(5)6)21-12-10-17(13-21)19(22)18-9-7-8-11-20-18/h7-16H,1-6H3.
What are the key properties of pyridin-2-yl-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone?
pyridin-2-yl-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone has a molecular weight of 328.53 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone is sourced from PubChem (CID 5136133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).