2-(anilinomethyl)-5-hydroxypyran-4-one

C12H11NO3 — CID 130407637

IUPAC2-(anilinomethyl)-5-hydroxypyran-4-one
SMILESO=c1cc(CNc2ccccc2)occ1O
InChIInChI=1S/C12H11NO3/c14-11-6-10(16-8-12(11)15)7-13-9-4-2-1-3-5-9/h1-6,8,13,15H,7H2
InChIKeyBZBHVNAKHRUCLG-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.96
Rot. Bonds3

About 2-(anilinomethyl)-5-hydroxypyran-4-one

2-(anilinomethyl)-5-hydroxypyran-4-one (PubChem CID 130407637) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(anilinomethyl)-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-(anilinomethyl)-5-hydroxypyran-4-one
PubChem CID130407637
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-(anilinomethyl)-5-hydroxypyran-4-one
SMILESO=c1cc(CNc2ccccc2)occ1O
InChIInChI=1S/C12H11NO3/c14-11-6-10(16-8-12(11)15)7-13-9-4-2-1-3-5-9/h1-6,8,13,15H,7H2
InChIKeyBZBHVNAKHRUCLG-UHFFFAOYSA-N
XLogP1.96
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Hydroxy methylphenylpyridinone
CID 10397916
5-Hydroxy-2-(hydroxymethyl)-1-phenylpyridin-4(1H)-one
CID 12468238
5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one
CID 130407634
2-[(3-fluoro-N-methylanilino)methyl]-5-hydroxypyran-4-one
CID 130407896
2-[(4-fluoro-N-methylanilino)methyl]-5-hydroxypyran-4-one
CID 130407903
N-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide
CID 165437388
N-(3,4-difluorophenyl)-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 27378229
N-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide
CID 165437332
N-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide
CID 165437357
N-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide
CID 166436518
N-(4-fluorophenyl)-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 27378223
5-ethoxy-N-(3-fluorophenyl)-4-oxo-4H-pyran-2-carboxamide
CID 30860239

Frequently Asked Questions

What is the IUPAC name of 2-(anilinomethyl)-5-hydroxypyran-4-one?
The IUPAC name of 2-(anilinomethyl)-5-hydroxypyran-4-one (CID 130407637) is 2-(anilinomethyl)-5-hydroxypyran-4-one.
What is the SMILES notation for 2-(anilinomethyl)-5-hydroxypyran-4-one?
The canonical SMILES for 2-(anilinomethyl)-5-hydroxypyran-4-one is O=c1cc(CNc2ccccc2)occ1O.
What is the InChIKey of 2-(anilinomethyl)-5-hydroxypyran-4-one?
The InChIKey is BZBHVNAKHRUCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-11-6-10(16-8-12(11)15)7-13-9-4-2-1-3-5-9/h1-6,8,13,15H,7H2.
What are the key properties of 2-(anilinomethyl)-5-hydroxypyran-4-one?
2-(anilinomethyl)-5-hydroxypyran-4-one has a molecular weight of 217.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anilinomethyl)-5-hydroxypyran-4-one is sourced from PubChem (CID 130407637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).