oxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium

C15H12N2O3 — CID 173150466

IUPACoxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium
SMILESC=CC(=O)Oc1ccc(/[N+]([O-])=N/c2ccccc2)cc1
InChIInChI=1S/C15H12N2O3/c1-2-15(18)20-14-10-8-13(9-11-14)17(19)16-12-6-4-3-5-7-12/h2-11H,1H2/b17-16-
InChIKeyAARNJYOIJHPPRB-MSUUIHNZSA-N
MW268.27 g/mol
LogP3.70
Rot. Bonds4

About oxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium

oxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium (PubChem CID 173150466) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is oxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium.

Molecular Properties

Compound Nameoxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium
PubChem CID173150466
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Nameoxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium
SMILESC=CC(=O)Oc1ccc(/[N+]([O-])=N/c2ccccc2)cc1
InChIInChI=1S/C15H12N2O3/c1-2-15(18)20-14-10-8-13(9-11-14)17(19)16-12-6-4-3-5-7-12/h2-11H,1H2/b17-16-
InChIKeyAARNJYOIJHPPRB-MSUUIHNZSA-N
XLogP3.70
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
phenyl prop-2-enoate;triphenylene
CID 159225619
oxirane;phenyl prop-2-enoate
CID 87443709
[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate
CID 151151993
[3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate
CID 136822877
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
(2-nitrooxyphenyl) prop-2-enoate
CID 142166891
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
[4-[[4-anilino-6-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]anilino]-1,3,5-triazin-2-yl]amino]phenyl] prop-2-enoate
CID 155065684
[4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate
CID 59739086
[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 90224723

Frequently Asked Questions

What is the IUPAC name of oxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium?
The IUPAC name of oxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium (CID 173150466) is oxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium.
What is the SMILES notation for oxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium?
The canonical SMILES for oxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium is C=CC(=O)Oc1ccc(/[N+]([O-])=N/c2ccccc2)cc1.
What is the InChIKey of oxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium?
The InChIKey is AARNJYOIJHPPRB-MSUUIHNZSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-2-15(18)20-14-10-8-13(9-11-14)17(19)16-12-6-4-3-5-7-12/h2-11H,1H2/b17-16-.
What are the key properties of oxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium?
oxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium has a molecular weight of 268.27 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium is sourced from PubChem (CID 173150466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).