methyl 2-ethyliminopropanoate

C6H11NO2 — CID 91459529

IUPACmethyl 2-ethyliminopropanoate
SMILESCC/N=C(\C)C(=O)OC
InChIInChI=1S/C6H11NO2/c1-4-7-5(2)6(8)9-3/h4H2,1-3H3/b7-5+
InChIKeyHCVUOZNBWFXXPJ-FNORWQNLSA-N
MW129.16 g/mol
LogP0.64
Rot. Bonds2

About methyl 2-ethyliminopropanoate

methyl 2-ethyliminopropanoate (PubChem CID 91459529) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl 2-ethyliminopropanoate.

Molecular Properties

Compound Namemethyl 2-ethyliminopropanoate
PubChem CID91459529
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl 2-ethyliminopropanoate
SMILESCC/N=C(\C)C(=O)OC
InChIInChI=1S/C6H11NO2/c1-4-7-5(2)6(8)9-3/h4H2,1-3H3/b7-5+
InChIKeyHCVUOZNBWFXXPJ-FNORWQNLSA-N
XLogP0.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(2,2,2-trifluoroethylimino)propanoate
CID 134862720
Methyl 2-(propan-2-ylideneamino)propanoate
CID 20720120
2,4-Dimethyl-5(2H)-oxazolone
CID 45086565
4-Methyl-5-oxazolone
CID 85557692
1-ethoxy-N-methyl-1-oxopropan-2-imine oxide
CID 10877249
Methyl 3-methyliminobutanoate
CID 6933507
Methyl 2-(propan-2-ylideneamino)acetate
CID 11829458
Ethyl (2E)-2-(butylimino)propanoate
CID 12330082
Methyl 2-methyliminopropanoate
CID 18322602
Ethyl 2-methyliminopropanoate
CID 20717755
Methyl 2-methyliminobutanoate
CID 20717772
2-Ethyliminopropanoic acid
CID 21447921

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyliminopropanoate?
The IUPAC name of methyl 2-ethyliminopropanoate (CID 91459529) is methyl 2-ethyliminopropanoate.
What is the SMILES notation for methyl 2-ethyliminopropanoate?
The canonical SMILES for methyl 2-ethyliminopropanoate is CC/N=C(\C)C(=O)OC.
What is the InChIKey of methyl 2-ethyliminopropanoate?
The InChIKey is HCVUOZNBWFXXPJ-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-7-5(2)6(8)9-3/h4H2,1-3H3/b7-5+.
What are the key properties of methyl 2-ethyliminopropanoate?
methyl 2-ethyliminopropanoate has a molecular weight of 129.16 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyliminopropanoate is sourced from PubChem (CID 91459529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).