3-azido-2-phenylmethoxypropanal

C10H11N3O2 — CID 130004617

IUPAC3-azido-2-phenylmethoxypropanal
SMILES[N-]=[N+]=NCC(C=O)OCc1ccccc1
InChIInChI=1S/C10H11N3O2/c11-13-12-6-10(7-14)15-8-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2
InChIKeyJZUICOTWSVQPMG-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.08
Rot. Bonds6

About 3-azido-2-phenylmethoxypropanal

3-azido-2-phenylmethoxypropanal (PubChem CID 130004617) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-azido-2-phenylmethoxypropanal.

Molecular Properties

Compound Name3-azido-2-phenylmethoxypropanal
PubChem CID130004617
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-azido-2-phenylmethoxypropanal
SMILES[N-]=[N+]=NCC(C=O)OCc1ccccc1
InChIInChI=1S/C10H11N3O2/c11-13-12-6-10(7-14)15-8-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2
InChIKeyJZUICOTWSVQPMG-UHFFFAOYSA-N
XLogP2.08
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal
CID 18654073
1,6-diazido-3,4-bis(phenylmethoxy)hexane-2,5-diol
CID 59824366
(2R,3R)-4-azido-3-methyl-2-phenylmethoxybutanoic acid
CID 157294780
(1-azido-3-oxopropan-2-yl) benzoate
CID 71335643
1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene
CID 122533474
4-hydroxy-2-phenylmethoxypentanal
CID 150721664
2-phenyl-2-phenylmethoxyacetaldehyde
CID 11117750
(2S,3R)-1-azido-3-phenylmethoxypent-4-en-2-ol;[(2S,3R)-1-azido-2-phenylmethoxypent-4-en-3-yl]oxymethylbenzene;bromomethylbenzene
CID 159201946
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
(2S)-5-methyl-4-oxo-2-phenylmethoxyhexanal
CID 102575982
(E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol
CID 101068685
2-(7-azidoheptanoylamino)-2-phenylmethoxyacetic acid
CID 101093773

Frequently Asked Questions

What is the IUPAC name of 3-azido-2-phenylmethoxypropanal?
The IUPAC name of 3-azido-2-phenylmethoxypropanal (CID 130004617) is 3-azido-2-phenylmethoxypropanal.
What is the SMILES notation for 3-azido-2-phenylmethoxypropanal?
The canonical SMILES for 3-azido-2-phenylmethoxypropanal is [N-]=[N+]=NCC(C=O)OCc1ccccc1.
What is the InChIKey of 3-azido-2-phenylmethoxypropanal?
The InChIKey is JZUICOTWSVQPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-13-12-6-10(7-14)15-8-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2.
What are the key properties of 3-azido-2-phenylmethoxypropanal?
3-azido-2-phenylmethoxypropanal has a molecular weight of 205.22 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2-phenylmethoxypropanal is sourced from PubChem (CID 130004617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).