4-[3-(3-azidoprop-1-enyl)phenyl]morpholine

C13H16N4O — CID 169462503

IUPAC4-[3-(3-azidoprop-1-enyl)phenyl]morpholine
SMILES[N-]=[N+]=NCC=Cc1cccc(N2CCOCC2)c1
InChIInChI=1S/C13H16N4O/c14-16-15-6-2-4-12-3-1-5-13(11-12)17-7-9-18-10-8-17/h1-5,11H,6-10H2
InChIKeyUEJKXBOFLFSWEH-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.85
Rot. Bonds4

About 4-[3-(3-azidoprop-1-enyl)phenyl]morpholine

4-[3-(3-azidoprop-1-enyl)phenyl]morpholine (PubChem CID 169462503) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-[3-(3-azidoprop-1-enyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[3-(3-azidoprop-1-enyl)phenyl]morpholine
PubChem CID169462503
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-[3-(3-azidoprop-1-enyl)phenyl]morpholine
SMILES[N-]=[N+]=NCC=Cc1cccc(N2CCOCC2)c1
InChIInChI=1S/C13H16N4O/c14-16-15-6-2-4-12-3-1-5-13(11-12)17-7-9-18-10-8-17/h1-5,11H,6-10H2
InChIKeyUEJKXBOFLFSWEH-UHFFFAOYSA-N
XLogP2.85
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-azidoprop-1-enyl)phenyl]morpholine?
The IUPAC name of 4-[3-(3-azidoprop-1-enyl)phenyl]morpholine (CID 169462503) is 4-[3-(3-azidoprop-1-enyl)phenyl]morpholine.
What is the SMILES notation for 4-[3-(3-azidoprop-1-enyl)phenyl]morpholine?
The canonical SMILES for 4-[3-(3-azidoprop-1-enyl)phenyl]morpholine is [N-]=[N+]=NCC=Cc1cccc(N2CCOCC2)c1.
What is the InChIKey of 4-[3-(3-azidoprop-1-enyl)phenyl]morpholine?
The InChIKey is UEJKXBOFLFSWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-16-15-6-2-4-12-3-1-5-13(11-12)17-7-9-18-10-8-17/h1-5,11H,6-10H2.
What are the key properties of 4-[3-(3-azidoprop-1-enyl)phenyl]morpholine?
4-[3-(3-azidoprop-1-enyl)phenyl]morpholine has a molecular weight of 244.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-azidoprop-1-enyl)phenyl]morpholine is sourced from PubChem (CID 169462503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).