2-azido-2-phenylpropanal

C9H9N3O — CID 72960755

IUPAC2-azido-2-phenylpropanal
SMILESCC(C=O)(N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C9H9N3O/c1-9(7-13,11-12-10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyJGIUABQQTOHGRG-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.41
Rot. Bonds3

About 2-azido-2-phenylpropanal

2-azido-2-phenylpropanal (PubChem CID 72960755) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-azido-2-phenylpropanal.

Molecular Properties

Compound Name2-azido-2-phenylpropanal
PubChem CID72960755
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-azido-2-phenylpropanal
SMILESCC(C=O)(N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C9H9N3O/c1-9(7-13,11-12-10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyJGIUABQQTOHGRG-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-azido-1-phenylethyl)-1,2-dimethylbenzene
CID 3990055
2-[(1-oxo-2-phenylpropan-2-yl)disulfanyl]-2-phenylpropanal
CID 88840285
diethyl 2-azido-2-phenylpropanedioate
CID 14066098
2,2-diphenylpropanedial
CID 15324204
azidomethane;trifluoromethylbenzene
CID 175515573
(2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine
CID 112756113
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
tert-butylbenzene;methyl formate
CID 174802474
1-[4-(2-azidopropan-2-yl)phenyl]ethanone
CID 167275403
2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal
CID 173351548
2-phenyl-2-phenylsulfanylpropanal
CID 11042917
2-ethyl-2-methyl-3,3-diphenylbutanal
CID 175440032

Frequently Asked Questions

What is the IUPAC name of 2-azido-2-phenylpropanal?
The IUPAC name of 2-azido-2-phenylpropanal (CID 72960755) is 2-azido-2-phenylpropanal.
What is the SMILES notation for 2-azido-2-phenylpropanal?
The canonical SMILES for 2-azido-2-phenylpropanal is CC(C=O)(N=[N+]=[N-])c1ccccc1.
What is the InChIKey of 2-azido-2-phenylpropanal?
The InChIKey is JGIUABQQTOHGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-9(7-13,11-12-10)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 2-azido-2-phenylpropanal?
2-azido-2-phenylpropanal has a molecular weight of 175.19 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-2-phenylpropanal is sourced from PubChem (CID 72960755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).