methyl 3-methoxyiminobutanoate

C6H11NO3 — CID 72729968

IUPACmethyl 3-methoxyiminobutanoate
SMILESCON=C(C)CC(=O)OC
InChIInChI=1S/C6H11NO3/c1-5(7-10-3)4-6(8)9-2/h4H2,1-3H3
InChIKeyPQYHCBWMKLAMRP-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.57
Rot. Bonds3

About methyl 3-methoxyiminobutanoate

methyl 3-methoxyiminobutanoate (PubChem CID 72729968) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 3-methoxyiminobutanoate.

Molecular Properties

Compound Namemethyl 3-methoxyiminobutanoate
PubChem CID72729968
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 3-methoxyiminobutanoate
SMILESCON=C(C)CC(=O)OC
InChIInChI=1S/C6H11NO3/c1-5(7-10-3)4-6(8)9-2/h4H2,1-3H3
InChIKeyPQYHCBWMKLAMRP-UHFFFAOYSA-N
XLogP0.57
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.57
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

(E)-N-methoxybutan-2-imine;methyl acetate
CID 91150497
dimethyl (2E)-2-methoxyiminobutanedioate
CID 5365394
methyl 4-chloro-4-methoxyimino-3-oxobutanoate
CID 3017960
methyl 3-(methoxycarbonylhydrazinylidene)butanoate
CID 170986188
2-N,5-N-dimethoxyhexane-2,5-diimine
CID 13034305
dimethyl 4-methoxyiminoheptanedioate
CID 587685
CID 87726616
CID 87726616
(3E)-3-methoxyimino-1-phenylbutan-1-one
CID 14615206
CID 172760784
CID 172760784
dimethyl (2E)-2-methoxyiminopentanedioate
CID 5365354
acetic acid;3-methoxy-3-oxopropanoic acid
CID 162325440
methanol;bis(methyl 3-oxobutanoate);titanium
CID 87237560

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxyiminobutanoate?
The IUPAC name of methyl 3-methoxyiminobutanoate (CID 72729968) is methyl 3-methoxyiminobutanoate.
What is the SMILES notation for methyl 3-methoxyiminobutanoate?
The canonical SMILES for methyl 3-methoxyiminobutanoate is CON=C(C)CC(=O)OC.
What is the InChIKey of methyl 3-methoxyiminobutanoate?
The InChIKey is PQYHCBWMKLAMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(7-10-3)4-6(8)9-2/h4H2,1-3H3.
What are the key properties of methyl 3-methoxyiminobutanoate?
methyl 3-methoxyiminobutanoate has a molecular weight of 145.16 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxyiminobutanoate is sourced from PubChem (CID 72729968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).