5-phenylmethoxyimino-3,4-dihydro-2H-pyridine-2-carboxylic acid

C13H14N2O3 — CID 175486359

IUPAC5-phenylmethoxyimino-3,4-dihydro-2H-pyridine-2-carboxylic acid
SMILESO=C(O)C1CCC(=NOCc2ccccc2)C=N1
InChIInChI=1S/C13H14N2O3/c16-13(17)12-7-6-11(8-14-12)15-18-9-10-4-2-1-3-5-10/h1-5,8,12H,6-7,9H2,(H,16,17)
InChIKeySSTBSZLIDDUBMC-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.88
Rot. Bonds4

About 5-phenylmethoxyimino-3,4-dihydro-2H-pyridine-2-carboxylic acid

5-phenylmethoxyimino-3,4-dihydro-2H-pyridine-2-carboxylic acid (PubChem CID 175486359) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-phenylmethoxyimino-3,4-dihydro-2H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-phenylmethoxyimino-3,4-dihydro-2H-pyridine-2-carboxylic acid
PubChem CID175486359
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-phenylmethoxyimino-3,4-dihydro-2H-pyridine-2-carboxylic acid
SMILESO=C(O)C1CCC(=NOCc2ccccc2)C=N1
InChIInChI=1S/C13H14N2O3/c16-13(17)12-7-6-11(8-14-12)15-18-9-10-4-2-1-3-5-10/h1-5,8,12H,6-7,9H2,(H,16,17)
InChIKeySSTBSZLIDDUBMC-UHFFFAOYSA-N
XLogP1.88
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,5Z)-5-phenylmethoxyiminopiperidine-2-carboxylic acid
CID 154721713
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine
CID 123594616
(E)-1-cyclopropyl-N-phenylmethoxyethanimine
CID 163358834
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
benzyl (2S)-1-benzyl-5-phenylmethoxyiminopiperidine-2-carboxylate
CID 86675003
(2Z)-2-phenylmethoxyiminocyclohexan-1-one
CID 88531753
(4E)-4-phenylmethoxyiminobutan-2-one
CID 58674288
2-phenylmethoxyiminocyclohexan-1-one
CID 123257370
(2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide
CID 158476039
(2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone
CID 15882424
(3E)-3-phenylmethoxyiminocyclopentane-1-carbonitrile
CID 118511391
benzyl nitrite;cyclohexane
CID 175094734

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxyimino-3,4-dihydro-2H-pyridine-2-carboxylic acid?
The IUPAC name of 5-phenylmethoxyimino-3,4-dihydro-2H-pyridine-2-carboxylic acid (CID 175486359) is 5-phenylmethoxyimino-3,4-dihydro-2H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-phenylmethoxyimino-3,4-dihydro-2H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-phenylmethoxyimino-3,4-dihydro-2H-pyridine-2-carboxylic acid is O=C(O)C1CCC(=NOCc2ccccc2)C=N1.
What is the InChIKey of 5-phenylmethoxyimino-3,4-dihydro-2H-pyridine-2-carboxylic acid?
The InChIKey is SSTBSZLIDDUBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-13(17)12-7-6-11(8-14-12)15-18-9-10-4-2-1-3-5-10/h1-5,8,12H,6-7,9H2,(H,16,17).
What are the key properties of 5-phenylmethoxyimino-3,4-dihydro-2H-pyridine-2-carboxylic acid?
5-phenylmethoxyimino-3,4-dihydro-2H-pyridine-2-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxyimino-3,4-dihydro-2H-pyridine-2-carboxylic acid is sourced from PubChem (CID 175486359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).