ethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate

C8H13NO3 — CID 134854762

IUPACethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate
SMILESCCOC(=O)/C(=N/O)C1(C)CC1
InChIInChI=1S/C8H13NO3/c1-3-12-7(10)6(9-11)8(2)4-5-8/h11H,3-5H2,1-2H3/b9-6-
InChIKeyIHEXIHHQEUKSJX-TWGQIWQCSA-N
MW171.20 g/mol
LogP1.18
Rot. Bonds3

About ethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate

ethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate (PubChem CID 134854762) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate
PubChem CID134854762
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate
SMILESCCOC(=O)/C(=N/O)C1(C)CC1
InChIInChI=1S/C8H13NO3/c1-3-12-7(10)6(9-11)8(2)4-5-8/h11H,3-5H2,1-2H3/b9-6-
InChIKeyIHEXIHHQEUKSJX-TWGQIWQCSA-N
XLogP1.18
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2Z)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]-2-hydroxyiminoacetate
CID 12821114
ethyl 2-(1-methylcyclopentyl)-2-oxoacetate
CID 170947552
ethyl 2-hydroxyiminopropanoate
CID 6399798
ethyl (2E)-2-amino-2-hydroxyiminoacetate
CID 6411350
CID 159370772
CID 159370772
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
CID 142438427
acetic acid;diethyl 2-hydroxyiminopropanedioate
CID 6400145
ethyl 2-[1-(dihydroxymethyl)cyclobutyl]-2-methoxyiminoacetate
CID 54478199
ethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate
CID 88648048
diethyl oxalate;ethyl acetate
CID 160900883
ethyl 2-oxopropanoate;nitrous acid
CID 174912891
ethyl (2E)-2-hydroxyimino-3-methylbutanoate
CID 11094910

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate?
The IUPAC name of ethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate (CID 134854762) is ethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate.
What is the SMILES notation for ethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate?
The canonical SMILES for ethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate is CCOC(=O)/C(=N/O)C1(C)CC1.
What is the InChIKey of ethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate?
The InChIKey is IHEXIHHQEUKSJX-TWGQIWQCSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-12-7(10)6(9-11)8(2)4-5-8/h11H,3-5H2,1-2H3/b9-6-.
What are the key properties of ethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate?
ethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate has a molecular weight of 171.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-hydroxyimino-2-(1-methylcyclopropyl)acetate is sourced from PubChem (CID 134854762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).