1-(4-carboxyphenyl)-N-phenylmethanimine oxide

C14H11NO3 — CID 118506239

IUPAC1-(4-carboxyphenyl)-N-phenylmethanimine oxide
SMILESO=C(O)c1ccc(C=[N+]([O-])c2ccccc2)cc1
InChIInChI=1S/C14H11NO3/c16-14(17)12-8-6-11(7-9-12)10-15(18)13-4-2-1-3-5-13/h1-10H,(H,16,17)
InChIKeyYSZPPNZASMMWSM-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.65
Rot. Bonds3

About 1-(4-carboxyphenyl)-N-phenylmethanimine oxide

1-(4-carboxyphenyl)-N-phenylmethanimine oxide (PubChem CID 118506239) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(4-carboxyphenyl)-N-phenylmethanimine oxide.

Molecular Properties

Compound Name1-(4-carboxyphenyl)-N-phenylmethanimine oxide
PubChem CID118506239
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name1-(4-carboxyphenyl)-N-phenylmethanimine oxide
SMILESO=C(O)c1ccc(C=[N+]([O-])c2ccccc2)cc1
InChIInChI=1S/C14H11NO3/c16-14(17)12-8-6-11(7-9-12)10-15(18)13-4-2-1-3-5-13/h1-10H,(H,16,17)
InChIKeyYSZPPNZASMMWSM-UHFFFAOYSA-N
XLogP2.65
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-carboxyphenyl)-N-phenylmethanimine oxide;methane;4-methoxybenzoic acid;N-phenylhydroxylamine
CID 159515207
1-(4-carboxyphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanimine oxide
CID 10360594
N-(4-hydroxyphenyl)-1-phenylmethanimine oxide
CID 88774477
benzoic acid;λ2-plumbane
CID 174927932
4-formylbenzoic acid;3-nitrobenzaldehyde
CID 87574324
N-(3-nitrophenyl)-1-(4-nitrophenyl)methanimine oxide
CID 15829186
1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide
CID 22807932
sodium;benzoic acid;nitrate
CID 157126281
N-(4-chlorophenyl)-1-(4-methoxycarbonylphenyl)methanimine oxide
CID 4548622
4-ethenylbenzoic acid;styrene
CID 22341601
4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
CID 67828586
4-[(E)-2-nitroethenyl]benzoic acid
CID 7016907

Frequently Asked Questions

What is the IUPAC name of 1-(4-carboxyphenyl)-N-phenylmethanimine oxide?
The IUPAC name of 1-(4-carboxyphenyl)-N-phenylmethanimine oxide (CID 118506239) is 1-(4-carboxyphenyl)-N-phenylmethanimine oxide.
What is the SMILES notation for 1-(4-carboxyphenyl)-N-phenylmethanimine oxide?
The canonical SMILES for 1-(4-carboxyphenyl)-N-phenylmethanimine oxide is O=C(O)c1ccc(C=[N+]([O-])c2ccccc2)cc1.
What is the InChIKey of 1-(4-carboxyphenyl)-N-phenylmethanimine oxide?
The InChIKey is YSZPPNZASMMWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-14(17)12-8-6-11(7-9-12)10-15(18)13-4-2-1-3-5-13/h1-10H,(H,16,17).
What are the key properties of 1-(4-carboxyphenyl)-N-phenylmethanimine oxide?
1-(4-carboxyphenyl)-N-phenylmethanimine oxide has a molecular weight of 241.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carboxyphenyl)-N-phenylmethanimine oxide is sourced from PubChem (CID 118506239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).