methyl 3-cyclopropyliminopropanoate

C7H11NO2 — CID 54218394

IUPACmethyl 3-cyclopropyliminopropanoate
SMILESCOC(=O)C/C=N/C1CC1
InChIInChI=1S/C7H11NO2/c1-10-7(9)4-5-8-6-2-3-6/h5-6H,2-4H2,1H3/b8-5+
InChIKeyQAUDHEFQALUVTD-VMPITWQZSA-N
MW141.17 g/mol
LogP0.78
Rot. Bonds3

About methyl 3-cyclopropyliminopropanoate

methyl 3-cyclopropyliminopropanoate (PubChem CID 54218394) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl 3-cyclopropyliminopropanoate.

Molecular Properties

Compound Namemethyl 3-cyclopropyliminopropanoate
PubChem CID54218394
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl 3-cyclopropyliminopropanoate
SMILESCOC(=O)C/C=N/C1CC1
InChIInChI=1S/C7H11NO2/c1-10-7(9)4-5-8-6-2-3-6/h5-6H,2-4H2,1H3/b8-5+
InChIKeyQAUDHEFQALUVTD-VMPITWQZSA-N
XLogP0.78
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyliminopropanoate?
The IUPAC name of methyl 3-cyclopropyliminopropanoate (CID 54218394) is methyl 3-cyclopropyliminopropanoate.
What is the SMILES notation for methyl 3-cyclopropyliminopropanoate?
The canonical SMILES for methyl 3-cyclopropyliminopropanoate is COC(=O)C/C=N/C1CC1.
What is the InChIKey of methyl 3-cyclopropyliminopropanoate?
The InChIKey is QAUDHEFQALUVTD-VMPITWQZSA-N. The full InChI is InChI=1S/C7H11NO2/c1-10-7(9)4-5-8-6-2-3-6/h5-6H,2-4H2,1H3/b8-5+.
What are the key properties of methyl 3-cyclopropyliminopropanoate?
methyl 3-cyclopropyliminopropanoate has a molecular weight of 141.17 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyliminopropanoate is sourced from PubChem (CID 54218394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).