4-[(Z)-4-azido-2-phenylbut-2-enyl]morpholine

C14H18N4O — CID 169084407

IUPAC4-[(Z)-4-azido-2-phenylbut-2-enyl]morpholine
SMILES[N-]=[N+]=NC/C=C(\CN1CCOCC1)c1ccccc1
InChIInChI=1S/C14H18N4O/c15-17-16-7-6-14(13-4-2-1-3-5-13)12-18-8-10-19-11-9-18/h1-6H,7-12H2/b14-6+
InChIKeyVKIUZWZBJMMFEW-MKMNVTDBSA-N
MW258.32 g/mol
LogP2.71
Rot. Bonds5

About 4-[(Z)-4-azido-2-phenylbut-2-enyl]morpholine

4-[(Z)-4-azido-2-phenylbut-2-enyl]morpholine (PubChem CID 169084407) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(Z)-4-azido-2-phenylbut-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(Z)-4-azido-2-phenylbut-2-enyl]morpholine
PubChem CID169084407
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[(Z)-4-azido-2-phenylbut-2-enyl]morpholine
SMILES[N-]=[N+]=NC/C=C(\CN1CCOCC1)c1ccccc1
InChIInChI=1S/C14H18N4O/c15-17-16-7-6-14(13-4-2-1-3-5-13)12-18-8-10-19-11-9-18/h1-6H,7-12H2/b14-6+
InChIKeyVKIUZWZBJMMFEW-MKMNVTDBSA-N
XLogP2.71
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.71
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-[(Z)-4-azido-2-phenylbut-2-enyl]morpholine?
The IUPAC name of 4-[(Z)-4-azido-2-phenylbut-2-enyl]morpholine (CID 169084407) is 4-[(Z)-4-azido-2-phenylbut-2-enyl]morpholine.
What is the SMILES notation for 4-[(Z)-4-azido-2-phenylbut-2-enyl]morpholine?
The canonical SMILES for 4-[(Z)-4-azido-2-phenylbut-2-enyl]morpholine is [N-]=[N+]=NC/C=C(\CN1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[(Z)-4-azido-2-phenylbut-2-enyl]morpholine?
The InChIKey is VKIUZWZBJMMFEW-MKMNVTDBSA-N. The full InChI is InChI=1S/C14H18N4O/c15-17-16-7-6-14(13-4-2-1-3-5-13)12-18-8-10-19-11-9-18/h1-6H,7-12H2/b14-6+.
What are the key properties of 4-[(Z)-4-azido-2-phenylbut-2-enyl]morpholine?
4-[(Z)-4-azido-2-phenylbut-2-enyl]morpholine has a molecular weight of 258.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4-azido-2-phenylbut-2-enyl]morpholine is sourced from PubChem (CID 169084407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).