4-ethylbenzoyl azide

C9H9N3O — CID 43307154

IUPAC4-ethylbenzoyl azide
SMILESCCc1ccc(C(=O)N=[N+]=[N-])cc1
InChIInChI=1S/C9H9N3O/c1-2-7-3-5-8(6-4-7)9(13)11-12-10/h3-6H,2H2,1H3
InChIKeyZHQVQFQLVNCHLJ-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.70
Rot. Bonds2

About 4-ethylbenzoyl azide

4-ethylbenzoyl azide (PubChem CID 43307154) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-ethylbenzoyl azide.

Molecular Properties

Compound Name4-ethylbenzoyl azide
PubChem CID43307154
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-ethylbenzoyl azide
SMILESCCc1ccc(C(=O)N=[N+]=[N-])cc1
InChIInChI=1S/C9H9N3O/c1-2-7-3-5-8(6-4-7)9(13)11-12-10/h3-6H,2H2,1H3
InChIKeyZHQVQFQLVNCHLJ-UHFFFAOYSA-N
XLogP2.70
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-ethylbenzoyl azide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-carbonazidoylphenyl)benzoyl azide
CID 101036064
4-(piperidin-1-ylmethyl)benzoyl azide
CID 141453414
benzoyl azide;hydrochloride
CID 174620684
N-(2-azidoethyl)-4-ethylbenzamide
CID 55136940
4-(methylaminosulfanyl)benzoyl azide
CID 169189363
4-ethylbenzoyl iodide
CID 89147367
(3-azidoazetidin-1-yl)-(4-ethylphenyl)methanone
CID 121200689
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
4-ethylbenzoic acid;formaldehyde
CID 155718391
barium(2+);bis(4-ethylbenzoate)
CID 101299929
potassium 4-ethylbenzoate
CID 23708087
ethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide
CID 143235198

Frequently Asked Questions

What is the IUPAC name of 4-ethylbenzoyl azide?
The IUPAC name of 4-ethylbenzoyl azide (CID 43307154) is 4-ethylbenzoyl azide.
What is the SMILES notation for 4-ethylbenzoyl azide?
The canonical SMILES for 4-ethylbenzoyl azide is CCc1ccc(C(=O)N=[N+]=[N-])cc1.
What is the InChIKey of 4-ethylbenzoyl azide?
The InChIKey is ZHQVQFQLVNCHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-7-3-5-8(6-4-7)9(13)11-12-10/h3-6H,2H2,1H3.
What are the key properties of 4-ethylbenzoyl azide?
4-ethylbenzoyl azide has a molecular weight of 175.19 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylbenzoyl azide is sourced from PubChem (CID 43307154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).