N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

C13H12N2O2 — CID 135715601

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C13H12N2O2/c1-9(16)15-14-8-12-11-5-3-2-4-10(11)6-7-13(12)17/h2-8,17H,1H3,(H,15,16)/b14-8+
InChIKeyVHYUYVYLFTZQFX-RIYZIHGNSA-N
MW228.25 g/mol
LogP2.02
Rot. Bonds2

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 135715601) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID135715601
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C13H12N2O2/c1-9(16)15-14-8-12-11-5-3-2-4-10(11)6-7-13(12)17/h2-8,17H,1H3,(H,15,16)/b14-8+
InChIKeyVHYUYVYLFTZQFX-RIYZIHGNSA-N
XLogP2.02
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-1-naphthaldehyde thiosemicarbazone
CID 135400403
2-Hydroxy-1-naphthaldehyde N-ethylthiosemicarbazone
CID 135493221
2-Hydroxy-1-naphthaldehyde oxime
CID 135400485
Pyrrolidin-1-yl-acetic acid (2-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135411944
N-[(E)-[3-[(E)-(Acetylhydrazono)methyl]-2-hydroxy-5-isopropyl-phenyl]methyleneamino]acetamide
CID 135455074
N'-[(2-hydroxy-1-naphthyl)methylene]-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarbohydrazide
CID 135458990
(E)-2-((2-Hydroxynaphthalen-1-yl)methylene)-N,N-dimethylhydrazine-1-carbothioamide
CID 135482104
N-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]formamide
CID 135676247
(E)-N-Hydroxy-7-(2-((2-hydroxynaphthalen-1-yl)methylene)hydrazinyl)-7-oxoheptanamide
CID 135922679
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]cyclopropanecarboxamide
CID 251900
3-(((2-Hydroxynaphthalen-1-yl)methylene)-amino)-2-thioxothiazolidin-4-one
CID 275263
N'-[(2-hydroxy-1-naphthyl)methylene]-2-oxo-2-(1-pyrrolidinyl)acetohydrazide
CID 135438745

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (CID 135715601) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is CC(=O)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is VHYUYVYLFTZQFX-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9(16)15-14-8-12-11-5-3-2-4-10(11)6-7-13(12)17/h2-8,17H,1H3,(H,15,16)/b14-8+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 228.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 135715601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).