methyl 2-propyliminoacetate

C6H11NO2 — CID 14449657

IUPACmethyl 2-propyliminoacetate
SMILESCCC/N=C/C(=O)OC
InChIInChI=1S/C6H11NO2/c1-3-4-7-5-6(8)9-2/h5H,3-4H2,1-2H3/b7-5+
InChIKeyRMLWGOFARWPNJC-FNORWQNLSA-N
MW129.16 g/mol
LogP0.64
Rot. Bonds3

About methyl 2-propyliminoacetate

methyl 2-propyliminoacetate (PubChem CID 14449657) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl 2-propyliminoacetate.

Molecular Properties

Compound Namemethyl 2-propyliminoacetate
PubChem CID14449657
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl 2-propyliminoacetate
SMILESCCC/N=C/C(=O)OC
InChIInChI=1S/C6H11NO2/c1-3-4-7-5-6(8)9-2/h5H,3-4H2,1-2H3/b7-5+
InChIKeyRMLWGOFARWPNJC-FNORWQNLSA-N
XLogP0.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-propyliminoacetate?
The IUPAC name of methyl 2-propyliminoacetate (CID 14449657) is methyl 2-propyliminoacetate.
What is the SMILES notation for methyl 2-propyliminoacetate?
The canonical SMILES for methyl 2-propyliminoacetate is CCC/N=C/C(=O)OC.
What is the InChIKey of methyl 2-propyliminoacetate?
The InChIKey is RMLWGOFARWPNJC-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-4-7-5-6(8)9-2/h5H,3-4H2,1-2H3/b7-5+.
What are the key properties of methyl 2-propyliminoacetate?
methyl 2-propyliminoacetate has a molecular weight of 129.16 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propyliminoacetate is sourced from PubChem (CID 14449657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).