ethyl 2-(6-methoxyiminocyclohexa-2,4-dien-1-yl)acetate

C11H15NO3 — CID 152509267

IUPACethyl 2-(6-methoxyiminocyclohexa-2,4-dien-1-yl)acetate
SMILESCCOC(=O)CC1C=CC=CC1=NOC
InChIInChI=1S/C11H15NO3/c1-3-15-11(13)8-9-6-4-5-7-10(9)12-14-2/h4-7,9H,3,8H2,1-2H3
InChIKeyYFDHVPQFLIXLLD-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.68
Rot. Bonds4

About ethyl 2-(6-methoxyiminocyclohexa-2,4-dien-1-yl)acetate

ethyl 2-(6-methoxyiminocyclohexa-2,4-dien-1-yl)acetate (PubChem CID 152509267) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 2-(6-methoxyiminocyclohexa-2,4-dien-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-methoxyiminocyclohexa-2,4-dien-1-yl)acetate
PubChem CID152509267
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 2-(6-methoxyiminocyclohexa-2,4-dien-1-yl)acetate
SMILESCCOC(=O)CC1C=CC=CC1=NOC
InChIInChI=1S/C11H15NO3/c1-3-15-11(13)8-9-6-4-5-7-10(9)12-14-2/h4-7,9H,3,8H2,1-2H3
InChIKeyYFDHVPQFLIXLLD-UHFFFAOYSA-N
XLogP1.68
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(1S,4S)-4-nitroso-1,4-dihydronaphthalen-1-yl]acetate
CID 163768240
ethyl 2-(5-oxo-2H-thiophen-2-yl)acetate
CID 15415462
4-O-ethyl 1-O-methyl butanedioate
CID 522068
diethyl propanedioate;3-O-ethyl 1-O-methyl propanedioate
CID 91497468
ethyl 2-[(6-phenylmethoxyiminocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine-1-carboxylate
CID 152650820
ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate
CID 142858337
ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate
CID 142858342
ethyl 2-[(1R,6R)-6-(2-ethoxy-2-oxoethyl)cyclohex-3-en-1-yl]acetate
CID 11097129
ethyl 2,2-difluoro-2-(3-methylcyclohepta-1,4,6-trien-1-yl)acetate
CID 143545774
ethyl 2-[(6-cyanoiminocyclohexa-2,4-dien-1-yl)-(3-methylbut-2-enyl)amino]acetate
CID 141083277
ethyl 2-methoxycyclohepta-2,4,6-triene-1-carboxylate
CID 12951458
ethyl 2,4a-dihydroisoquinolin-2-ium-4-carboxylate chloride
CID 110177775

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methoxyiminocyclohexa-2,4-dien-1-yl)acetate?
The IUPAC name of ethyl 2-(6-methoxyiminocyclohexa-2,4-dien-1-yl)acetate (CID 152509267) is ethyl 2-(6-methoxyiminocyclohexa-2,4-dien-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-methoxyiminocyclohexa-2,4-dien-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-methoxyiminocyclohexa-2,4-dien-1-yl)acetate is CCOC(=O)CC1C=CC=CC1=NOC.
What is the InChIKey of ethyl 2-(6-methoxyiminocyclohexa-2,4-dien-1-yl)acetate?
The InChIKey is YFDHVPQFLIXLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-15-11(13)8-9-6-4-5-7-10(9)12-14-2/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(6-methoxyiminocyclohexa-2,4-dien-1-yl)acetate?
ethyl 2-(6-methoxyiminocyclohexa-2,4-dien-1-yl)acetate has a molecular weight of 209.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methoxyiminocyclohexa-2,4-dien-1-yl)acetate is sourced from PubChem (CID 152509267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).