2-azido-1-(4-methylphenyl)ethanone

C9H9N3O — CID 11008439

IUPAC2-azido-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN=[N+]=[N-])cc1
InChIInChI=1S/C9H9N3O/c1-7-2-4-8(5-3-7)9(13)6-11-12-10/h2-5H,6H2,1H3
InChIKeyMFBKIKMYVQMIAQ-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.49
Rot. Bonds3

About 2-azido-1-(4-methylphenyl)ethanone

2-azido-1-(4-methylphenyl)ethanone (PubChem CID 11008439) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-azido-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-azido-1-(4-methylphenyl)ethanone
PubChem CID11008439
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-azido-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN=[N+]=[N-])cc1
InChIInChI=1S/C9H9N3O/c1-7-2-4-8(5-3-7)9(13)6-11-12-10/h2-5H,6H2,1H3
InChIKeyMFBKIKMYVQMIAQ-UHFFFAOYSA-N
XLogP2.49
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-azido-1-(4-methylphenyl)ethanone 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

Mephedrone
CID 45266826
Cathinone
CID 62258
p-METHYLACETOPHENONE
CID 8500
Metamfepramone
CID 71872
4'-Ethylacetophenone
CID 13642
1-(4-Ethylphenyl)propan-1-one
CID 583750
1-(4-Hexylphenyl)prop-2-en-1-one
CID 14899645
Ethanone, 2-amino-1-phenyl-, hydrochloride (1:1)
CID 2723597
3-(Dimethylamino)-1-phenyl-1-propanone
CID 77042
1,4-Diacetylbenzene
CID 13888
Endostatin
CID 187888
Cathinone hydrochloride
CID 11956149

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-azido-1-(4-methylphenyl)ethanone (CID 11008439) is 2-azido-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-azido-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-azido-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CN=[N+]=[N-])cc1.
What is the InChIKey of 2-azido-1-(4-methylphenyl)ethanone?
The InChIKey is MFBKIKMYVQMIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-7-2-4-8(5-3-7)9(13)6-11-12-10/h2-5H,6H2,1H3.
What are the key properties of 2-azido-1-(4-methylphenyl)ethanone?
2-azido-1-(4-methylphenyl)ethanone has a molecular weight of 175.19 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 11008439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).