1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one

C15H16N2O3 — CID 82897410

IUPAC1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one
SMILESC/C(=N/O)c1ccccc1OCCn1ccccc1=O
InChIInChI=1S/C15H16N2O3/c1-12(16-19)13-6-2-3-7-14(13)20-11-10-17-9-5-4-8-15(17)18/h2-9,19H,10-11H2,1H3/b16-12-
InChIKeyPKJBBWLSBDIHIC-VBKFSLOCSA-N
MW272.30 g/mol
LogP2.13
Rot. Bonds5

About 1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one

1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one (PubChem CID 82897410) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one
PubChem CID82897410
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one
SMILESC/C(=N/O)c1ccccc1OCCn1ccccc1=O
InChIInChI=1S/C15H16N2O3/c1-12(16-19)13-6-2-3-7-14(13)20-11-10-17-9-5-4-8-15(17)18/h2-9,19H,10-11H2,1H3/b16-12-
InChIKeyPKJBBWLSBDIHIC-VBKFSLOCSA-N
XLogP2.13
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethylidene]hydroxylamine
CID 109374436
1-[2-(2-iodophenoxy)ethyl]pyridin-2-one
CID 78917316
N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
CID 107656907
1-[2-[2-(2-hydroxyethyl)phenoxy]ethyl]pyridin-2-one
CID 107713241
3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid
CID 82897733
(NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine
CID 43129538
N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine
CID 76999545
N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
CID 79221819
1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one
CID 78986348
1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione
CID 62023562
1-[2-(4-acetyl-2-fluorophenoxy)ethyl]pyridin-2-one
CID 115610630
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]acetamide
CID 24699457

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one (CID 82897410) is 1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one is C/C(=N/O)c1ccccc1OCCn1ccccc1=O.
What is the InChIKey of 1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one?
The InChIKey is PKJBBWLSBDIHIC-VBKFSLOCSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-12(16-19)13-6-2-3-7-14(13)20-11-10-17-9-5-4-8-15(17)18/h2-9,19H,10-11H2,1H3/b16-12-.
What are the key properties of 1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one?
1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one has a molecular weight of 272.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one is sourced from PubChem (CID 82897410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).