2-azido-4-methylpentan-3-one

C6H11N3O — CID 150180887

IUPAC2-azido-4-methylpentan-3-one
SMILESCC(C)C(=O)C(C)N=[N+]=[N-]
InChIInChI=1S/C6H11N3O/c1-4(2)6(10)5(3)8-9-7/h4-5H,1-3H3
InChIKeyFLKBTYDKJSJIFT-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.91
Rot. Bonds3

About 2-azido-4-methylpentan-3-one

2-azido-4-methylpentan-3-one (PubChem CID 150180887) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-azido-4-methylpentan-3-one.

Molecular Properties

Compound Name2-azido-4-methylpentan-3-one
PubChem CID150180887
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-azido-4-methylpentan-3-one
SMILESCC(C)C(=O)C(C)N=[N+]=[N-]
InChIInChI=1S/C6H11N3O/c1-4(2)6(10)5(3)8-9-7/h4-5H,1-3H3
InChIKeyFLKBTYDKJSJIFT-UHFFFAOYSA-N
XLogP1.91
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.91
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-4-methylpentan-3-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-azidopropanoic acid
CID 14720889
2-azido-N-methylpropanamide
CID 20591221
ethyl (2S)-2-azidopropanoate
CID 15266179
2-azido-N-propylpropanamide
CID 61373269
2-azido-6-(5-azido-4-oxohexoxy)hexan-3-one
CID 148848612
2-azido-1-(4-fluorophenyl)propan-1-one
CID 15889768
2-azido-1-(4-methylphenyl)propan-1-one
CID 11458162
(2S,3S)-2-azido-3-methylpentanoyl chloride
CID 15953720
1,1-diazidoethane
CID 57220591
methyl (2S)-2-azido-3-methylpentanoate
CID 102453240
methyl (2S,3S)-2-azido-3-methylpentanoate
CID 57194503
(2S)-2-amino-3-azidobutanoic acid
CID 140958168

Frequently Asked Questions

What is the IUPAC name of 2-azido-4-methylpentan-3-one?
The IUPAC name of 2-azido-4-methylpentan-3-one (CID 150180887) is 2-azido-4-methylpentan-3-one.
What is the SMILES notation for 2-azido-4-methylpentan-3-one?
The canonical SMILES for 2-azido-4-methylpentan-3-one is CC(C)C(=O)C(C)N=[N+]=[N-].
What is the InChIKey of 2-azido-4-methylpentan-3-one?
The InChIKey is FLKBTYDKJSJIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4(2)6(10)5(3)8-9-7/h4-5H,1-3H3.
What are the key properties of 2-azido-4-methylpentan-3-one?
2-azido-4-methylpentan-3-one has a molecular weight of 141.17 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-methylpentan-3-one is sourced from PubChem (CID 150180887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).