benzoyl-tert-butyl-oxoazanium

C11H14NO2+ — CID 15671011

IUPACbenzoyl-tert-butyl-oxoazanium
SMILESCC(C)(C)[N+](=O)C(=O)c1ccccc1
InChIInChI=1S/C11H14NO2/c1-11(2,3)12(14)10(13)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
InChIKeyKWNLQLIDWIMBEG-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.40
Rot. Bonds1

About benzoyl-tert-butyl-oxoazanium

benzoyl-tert-butyl-oxoazanium (PubChem CID 15671011) has the molecular formula C11H14NO2+ and a molecular weight of 192.24 g/mol. Its IUPAC name is benzoyl-tert-butyl-oxoazanium.

Molecular Properties

Compound Namebenzoyl-tert-butyl-oxoazanium
PubChem CID15671011
Molecular FormulaC11H14NO2+
Molecular Weight192.24 g/mol
Exact Mass192.10
IUPAC Namebenzoyl-tert-butyl-oxoazanium
SMILESCC(C)(C)[N+](=O)C(=O)c1ccccc1
InChIInChI=1S/C11H14NO2/c1-11(2,3)12(14)10(13)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
InChIKeyKWNLQLIDWIMBEG-UHFFFAOYSA-N
XLogP2.40
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylpropane;diphenylmethanone
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benzoic acid;methanol
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benzoic acid;methanamine
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sodium;benzoic acid;nitrate
CID 157126281
benzoic acid;λ2-plumbane
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benzoic acid;zirconium
CID 173089080
CID 87090637
CID 87090637
CID 87293530
CID 87293530
benzoic acid;chromium
CID 139063467
benzoic acid;trihydrate
CID 157398339
cyclodecapentaenecarboxylic acid;methane
CID 162272407

Frequently Asked Questions

What is the IUPAC name of benzoyl-tert-butyl-oxoazanium?
The IUPAC name of benzoyl-tert-butyl-oxoazanium (CID 15671011) is benzoyl-tert-butyl-oxoazanium.
What is the SMILES notation for benzoyl-tert-butyl-oxoazanium?
The canonical SMILES for benzoyl-tert-butyl-oxoazanium is CC(C)(C)[N+](=O)C(=O)c1ccccc1.
What is the InChIKey of benzoyl-tert-butyl-oxoazanium?
The InChIKey is KWNLQLIDWIMBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO2/c1-11(2,3)12(14)10(13)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1.
What are the key properties of benzoyl-tert-butyl-oxoazanium?
benzoyl-tert-butyl-oxoazanium has a molecular weight of 192.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl-tert-butyl-oxoazanium is sourced from PubChem (CID 15671011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).