[(E)-(8-hydroxy-4-methoxynaphthalen-1-yl)methylideneamino] acetate

C14H13NO4 — CID 166107353

IUPAC[(E)-(8-hydroxy-4-methoxynaphthalen-1-yl)methylideneamino] acetate
SMILESCOc1ccc(/C=N/OC(C)=O)c2c(O)cccc12
InChIInChI=1S/C14H13NO4/c1-9(16)19-15-8-10-6-7-13(18-2)11-4-3-5-12(17)14(10)11/h3-8,17H,1-2H3/b15-8+
InChIKeyRGAFVROIMVNZBL-OVCLIPMQSA-N
MW259.26 g/mol
LogP2.45
Rot. Bonds3

About [(E)-(8-hydroxy-4-methoxynaphthalen-1-yl)methylideneamino] acetate

[(E)-(8-hydroxy-4-methoxynaphthalen-1-yl)methylideneamino] acetate (PubChem CID 166107353) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is [(E)-(8-hydroxy-4-methoxynaphthalen-1-yl)methylideneamino] acetate.

Molecular Properties

Compound Name[(E)-(8-hydroxy-4-methoxynaphthalen-1-yl)methylideneamino] acetate
PubChem CID166107353
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name[(E)-(8-hydroxy-4-methoxynaphthalen-1-yl)methylideneamino] acetate
SMILESCOc1ccc(/C=N/OC(C)=O)c2c(O)cccc12
InChIInChI=1S/C14H13NO4/c1-9(16)19-15-8-10-6-7-13(18-2)11-4-3-5-12(17)14(10)11/h3-8,17H,1-2H3/b15-8+
InChIKeyRGAFVROIMVNZBL-OVCLIPMQSA-N
XLogP2.45
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[4-(4,8-dimethoxynaphthalene-1-carbonyl)phenyl]methylideneamino] acetate
CID 155779447
[(Z)-naphthalen-1-ylmethylideneamino] acetate
CID 100995870
[[5-[3-(acetyloxyiminomethyl)-4-methoxyphenyl]sulfanyl-2-methoxyphenyl]methylideneamino] acetate
CID 90852720
[(E)-(2,6-dichlorophenyl)methylideneamino] acetate
CID 165348151
[1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate
CID 59148511
[(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate
CID 101383681
(8-formyl-5-methoxynaphthalen-1-yl) benzoate
CID 12653578
[(2-methoxyphenyl)methylideneamino] 2,3,3-trichloroprop-2-enoate
CID 54323517
acetaldehyde;methoxymethane;1-methoxypyrene;pyren-1-ol
CID 162172917
[(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate
CID 71604696
4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde
CID 166107369
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide
CID 7704045

Frequently Asked Questions

What is the IUPAC name of [(E)-(8-hydroxy-4-methoxynaphthalen-1-yl)methylideneamino] acetate?
The IUPAC name of [(E)-(8-hydroxy-4-methoxynaphthalen-1-yl)methylideneamino] acetate (CID 166107353) is [(E)-(8-hydroxy-4-methoxynaphthalen-1-yl)methylideneamino] acetate.
What is the SMILES notation for [(E)-(8-hydroxy-4-methoxynaphthalen-1-yl)methylideneamino] acetate?
The canonical SMILES for [(E)-(8-hydroxy-4-methoxynaphthalen-1-yl)methylideneamino] acetate is COc1ccc(/C=N/OC(C)=O)c2c(O)cccc12.
What is the InChIKey of [(E)-(8-hydroxy-4-methoxynaphthalen-1-yl)methylideneamino] acetate?
The InChIKey is RGAFVROIMVNZBL-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9(16)19-15-8-10-6-7-13(18-2)11-4-3-5-12(17)14(10)11/h3-8,17H,1-2H3/b15-8+.
What are the key properties of [(E)-(8-hydroxy-4-methoxynaphthalen-1-yl)methylideneamino] acetate?
[(E)-(8-hydroxy-4-methoxynaphthalen-1-yl)methylideneamino] acetate has a molecular weight of 259.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(8-hydroxy-4-methoxynaphthalen-1-yl)methylideneamino] acetate is sourced from PubChem (CID 166107353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).