ethane;ethyl (2Z)-2-methoxyiminopropanoate

C8H17NO3 — CID 172918219

IUPACethane;ethyl (2Z)-2-methoxyiminopropanoate
SMILESCC.CCOC(=O)/C(C)=N\OC
InChIInChI=1S/C6H11NO3.C2H6/c1-4-10-6(8)5(2)7-9-3;1-2/h4H2,1-3H3;1-2H3/b7-5-;
InChIKeyKDYHSZWGUAQQCD-YJOCEBFMSA-N
MW175.23 g/mol
LogP1.60
Rot. Bonds3

About ethane;ethyl (2Z)-2-methoxyiminopropanoate

ethane;ethyl (2Z)-2-methoxyiminopropanoate (PubChem CID 172918219) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethane;ethyl (2Z)-2-methoxyiminopropanoate.

Molecular Properties

Compound Nameethane;ethyl (2Z)-2-methoxyiminopropanoate
PubChem CID172918219
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethane;ethyl (2Z)-2-methoxyiminopropanoate
SMILESCC.CCOC(=O)/C(C)=N\OC
InChIInChI=1S/C6H11NO3.C2H6/c1-4-10-6(8)5(2)7-9-3;1-2/h4H2,1-3H3;1-2H3/b7-5-;
InChIKeyKDYHSZWGUAQQCD-YJOCEBFMSA-N
XLogP1.60
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.60
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-hydroxyiminopropionate
CID 9614318
2-Oxobutyric acid, ethyl ester oxime
CID 6412494
ethyl (2E)-2-hydroxyiminobutanoate
CID 6797161
Ethyl-2-hydroxyiminopropionate
CID 6399798
ethyl (2Z)-2-hydroxyiminopropanoate
CID 6405273
Acetoneoxime acetate
CID 129689585
Acetoxime isobutyrate
CID 129695371
Propanoic acid, 2-(methoxyimino)-, methyl ester
CID 9602966
ethyl (2E)-2-(hydroxyimino)butanoate
CID 6399023
1-ethoxy-N-methyl-1-oxopropan-2-imine oxide
CID 10877249
Acetoxime butyrate
CID 129695256
Acetoacetic ester,O-ethyloxime
CID 9601420

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl (2Z)-2-methoxyiminopropanoate?
The IUPAC name of ethane;ethyl (2Z)-2-methoxyiminopropanoate (CID 172918219) is ethane;ethyl (2Z)-2-methoxyiminopropanoate.
What is the SMILES notation for ethane;ethyl (2Z)-2-methoxyiminopropanoate?
The canonical SMILES for ethane;ethyl (2Z)-2-methoxyiminopropanoate is CC.CCOC(=O)/C(C)=N\OC.
What is the InChIKey of ethane;ethyl (2Z)-2-methoxyiminopropanoate?
The InChIKey is KDYHSZWGUAQQCD-YJOCEBFMSA-N. The full InChI is InChI=1S/C6H11NO3.C2H6/c1-4-10-6(8)5(2)7-9-3;1-2/h4H2,1-3H3;1-2H3/b7-5-;.
What are the key properties of ethane;ethyl (2Z)-2-methoxyiminopropanoate?
ethane;ethyl (2Z)-2-methoxyiminopropanoate has a molecular weight of 175.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl (2Z)-2-methoxyiminopropanoate is sourced from PubChem (CID 172918219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).