ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate

C11H13NO3 — CID 135509911

IUPACethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate
SMILESCCOC(=O)C/N=C/c1ccc(O)cc1
InChIInChI=1S/C11H13NO3/c1-2-15-11(14)8-12-7-9-3-5-10(13)6-4-9/h3-7,13H,2,8H2,1H3/b12-7+
InChIKeyCFEDYOYZOIWKMN-KPKJPENVSA-N
MW207.23 g/mol
LogP1.37
Rot. Bonds4

About ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate

ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate (PubChem CID 135509911) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate
PubChem CID135509911
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate
SMILESCCOC(=O)C/N=C/c1ccc(O)cc1
InChIInChI=1S/C11H13NO3/c1-2-15-11(14)8-12-7-9-3-5-10(13)6-4-9/h3-7,13H,2,8H2,1H3/b12-7+
InChIKeyCFEDYOYZOIWKMN-KPKJPENVSA-N
XLogP1.37
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.37
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

ethyl 2-[(4-bromophenyl)methylideneamino]acetate
CID 10492236
propyl 2-[(4-methylphenyl)methylideneamino]acetate
CID 141262028
ethyl 2-[(2-methylphenyl)methylideneamino]acetate
CID 15468535
ethyl 2-[(2,5-dihydroxy-3,4-dimethoxyphenyl)methylideneamino]acetate
CID 137295393
methyl 2-(benzylideneamino)acetate
CID 132550307
2,2,2-trifluoroethyl 2-(benzylideneamino)acetate
CID 102600153
ethyl 2-[(2-but-2-ynylphenyl)methylideneamino]acetate
CID 134861284
propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate
CID 14076273
ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 175502826
phosphanyl 2-(benzylideneamino)acetate
CID 88978605
tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate
CID 2795733
ethyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylideneamino]acetate
CID 140857348

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate?
The IUPAC name of ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate (CID 135509911) is ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate.
What is the SMILES notation for ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate?
The canonical SMILES for ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate is CCOC(=O)C/N=C/c1ccc(O)cc1.
What is the InChIKey of ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate?
The InChIKey is CFEDYOYZOIWKMN-KPKJPENVSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-15-11(14)8-12-7-9-3-5-10(13)6-4-9/h3-7,13H,2,8H2,1H3/b12-7+.
What are the key properties of ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate?
ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate has a molecular weight of 207.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate is sourced from PubChem (CID 135509911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).