2-azido-1-(4-methylphenyl)propan-1-one

C10H11N3O — CID 11458162

IUPAC2-azido-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N=[N+]=[N-])cc1
InChIInChI=1S/C10H11N3O/c1-7-3-5-9(6-4-7)10(14)8(2)12-13-11/h3-6,8H,1-2H3
InChIKeyIPHHKMBDHWAUDE-UHFFFAOYSA-N
MW189.22 g/mol
LogP2.88
Rot. Bonds3

About 2-azido-1-(4-methylphenyl)propan-1-one

2-azido-1-(4-methylphenyl)propan-1-one (PubChem CID 11458162) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-azido-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-azido-1-(4-methylphenyl)propan-1-one
PubChem CID11458162
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-azido-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N=[N+]=[N-])cc1
InChIInChI=1S/C10H11N3O/c1-7-3-5-9(6-4-7)10(14)8(2)12-13-11/h3-6,8H,1-2H3
InChIKeyIPHHKMBDHWAUDE-UHFFFAOYSA-N
XLogP2.88
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.88
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)propan-1-one 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

2-azido-1-(4-fluorophenyl)propan-1-one
CID 15889768
2-azido-2-fluoro-1-(4-methylphenyl)ethanone
CID 170553086
(2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one
CID 10262355
(2S,3S)-2-azido-3-hydroxy-1-(4-methoxyphenyl)butan-1-one
CID 101157836
CID 70455298
CID 70455298
(2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one
CID 10104411
2-azidopropanoic acid
CID 14720889
2,2-difluoro-1-(4-methylphenyl)ethanone;hydron
CID 131857858
4-(1-azidoethyl)benzoic acid
CID 91436419
2-butan-2-ylsulfinyl-1-(4-methylphenyl)propan-1-one
CID 64641066
4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride
CID 171323405
2-hydroxy-1-(4-methylphenyl)-2-methylsulfanylethanone
CID 130122073

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-azido-1-(4-methylphenyl)propan-1-one (CID 11458162) is 2-azido-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-azido-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-azido-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)N=[N+]=[N-])cc1.
What is the InChIKey of 2-azido-1-(4-methylphenyl)propan-1-one?
The InChIKey is IPHHKMBDHWAUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-3-5-9(6-4-7)10(14)8(2)12-13-11/h3-6,8H,1-2H3.
What are the key properties of 2-azido-1-(4-methylphenyl)propan-1-one?
2-azido-1-(4-methylphenyl)propan-1-one has a molecular weight of 189.22 g/mol, XLogP of 2.88, 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)propan-1-one is sourced from PubChem (CID 11458162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).