1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one

C22H26N2O5Si — CID 22034403

IUPAC1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one
SMILESCC[Si](CC)(CC)OC1C(=O)N(C(=O)c2ccccc2)C1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H26N2O5Si/c1-4-30(5-2,6-3)29-20-19(16-12-14-18(15-13-16)24(27)28)23(22(20)26)21(25)17-10-8-7-9-11-17/h7-15,19-20H,4-6H2,1-3H3
InChIKeyHWVHTLKQKAZVRN-UHFFFAOYSA-N
MW426.55 g/mol
LogP4.71
Rot. Bonds8

About 1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one

1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one (PubChem CID 22034403) has the molecular formula C22H26N2O5Si and a molecular weight of 426.55 g/mol. Its IUPAC name is 1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one.

Molecular Properties

Compound Name1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one
PubChem CID22034403
Molecular FormulaC22H26N2O5Si
Molecular Weight426.55 g/mol
Exact Mass426.16
IUPAC Name1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one
SMILESCC[Si](CC)(CC)OC1C(=O)N(C(=O)c2ccccc2)C1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H26N2O5Si/c1-4-30(5-2,6-3)29-20-19(16-12-14-18(15-13-16)24(27)28)23(22(20)26)21(25)17-10-8-7-9-11-17/h7-15,19-20H,4-6H2,1-3H3
InChIKeyHWVHTLKQKAZVRN-UHFFFAOYSA-N
XLogP4.71
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one
CID 15215130
1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one
CID 22034413
(4-nitrophenyl)-phenylmethanone;propyl carbamate
CID 174494585
[(2S,3S)-2-(4-nitrophenyl)-4-oxoazetidin-3-yl] benzoate
CID 15419481
ethyl 4-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
CID 23989444
ethyl (2R,3R)-2-(4-nitrophenyl)-4,5-dioxo-1-phenylpyrrolidine-3-carboxylate
CID 7381056
5-ethoxy-1-(4-nitrobenzoyl)pyrrolidin-2-one
CID 3077934
(3S,4S,5S)-4-methoxycarbonyl-5-(4-nitrophenyl)-2-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 11069031
tert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate
CID 22670494
ethyl (2R)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
CID 54726189
nitrobenzene;propanamide
CID 91549320
guanidine;(4-nitrophenyl) benzoate
CID 68771606

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one?
The IUPAC name of 1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one (CID 22034403) is 1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one.
What is the SMILES notation for 1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one?
The canonical SMILES for 1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one is CC[Si](CC)(CC)OC1C(=O)N(C(=O)c2ccccc2)C1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one?
The InChIKey is HWVHTLKQKAZVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5Si/c1-4-30(5-2,6-3)29-20-19(16-12-14-18(15-13-16)24(27)28)23(22(20)26)21(25)17-10-8-7-9-11-17/h7-15,19-20H,4-6H2,1-3H3.
What are the key properties of 1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one?
1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one has a molecular weight of 426.55 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one is sourced from PubChem (CID 22034403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).