methyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate

C14H13NO3 — CID 135595490

IUPACmethyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate
SMILESCOC(=O)C/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C14H13NO3/c1-18-14(17)9-15-8-12-11-5-3-2-4-10(11)6-7-13(12)16/h2-8,16H,9H2,1H3/b15-8+
InChIKeyYGXKDXKTSSSHPV-OVCLIPMQSA-N
MW243.26 g/mol
LogP2.14
Rot. Bonds3

About methyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate

methyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate (PubChem CID 135595490) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate
PubChem CID135595490
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate
SMILESCOC(=O)C/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C14H13NO3/c1-18-14(17)9-15-8-12-11-5-3-2-4-10(11)6-7-13(12)16/h2-8,16H,9H2,1H3/b15-8+
InChIKeyYGXKDXKTSSSHPV-OVCLIPMQSA-N
XLogP2.14
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-1-naphthaldehyde oxime
CID 135400485
2-Hydroxy-1-naphthaldehyde dimethylhydrazone
CID 135490277
1-[(Hydroxyimino)methyl]naphthalen-2-ol
CID 345088
2-(Hydroxymethyl)-2-{[(2-hydroxy-1-naphthyl)methylene]amino}-1,3-propanediol
CID 781693
1-((Hydroxyimino)methyl)naphthalen-2-ol
CID 135441727
(4R)-2-(2-hydroxynaphthalen-1-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 135536675
(4S)-2-(2-hydroxynaphthalen-1-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 135536676
1-[(E)-(Methoxyimino)methyl]naphthalen-2-ol
CID 135588814
6,6-Dibutylnaphtho[1,2-h][1,3,6,2]dioxazastannonin-4(3H)-one
CID 16683553
1-((2-Hydroxyethyl)iminomethyl)-2-naphthol
CID 4266170
1-(2-Sulfanylethyliminomethyl)naphthalen-2-ol
CID 353706
1-(Cyclopropyliminomethyl)naphthalen-2-ol
CID 4848190

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate?
The IUPAC name of methyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate (CID 135595490) is methyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate.
What is the SMILES notation for methyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate?
The canonical SMILES for methyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate is COC(=O)C/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of methyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate?
The InChIKey is YGXKDXKTSSSHPV-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-14(17)9-15-8-12-11-5-3-2-4-10(11)6-7-13(12)16/h2-8,16H,9H2,1H3/b15-8+.
What are the key properties of methyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate?
methyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate has a molecular weight of 243.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate is sourced from PubChem (CID 135595490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).