methyl 2-(methylaminomethyl)prop-2-enoate

C6H11NO2 — CID 10887929

IUPACmethyl 2-(methylaminomethyl)prop-2-enoate
SMILESC=C(CNC)C(=O)OC
InChIInChI=1S/C6H11NO2/c1-5(4-7-2)6(8)9-3/h7H,1,4H2,2-3H3
InChIKeyKWLTXWNRYPGADF-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.06
Rot. Bonds3

About methyl 2-(methylaminomethyl)prop-2-enoate

methyl 2-(methylaminomethyl)prop-2-enoate (PubChem CID 10887929) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl 2-(methylaminomethyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(methylaminomethyl)prop-2-enoate
PubChem CID10887929
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl 2-(methylaminomethyl)prop-2-enoate
SMILESC=C(CNC)C(=O)OC
InChIInChI=1S/C6H11NO2/c1-5(4-7-2)6(8)9-3/h7H,1,4H2,2-3H3
InChIKeyKWLTXWNRYPGADF-UHFFFAOYSA-N
XLogP-0.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylaminomethyl)prop-2-enoate?
The IUPAC name of methyl 2-(methylaminomethyl)prop-2-enoate (CID 10887929) is methyl 2-(methylaminomethyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(methylaminomethyl)prop-2-enoate?
The canonical SMILES for methyl 2-(methylaminomethyl)prop-2-enoate is C=C(CNC)C(=O)OC.
What is the InChIKey of methyl 2-(methylaminomethyl)prop-2-enoate?
The InChIKey is KWLTXWNRYPGADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(4-7-2)6(8)9-3/h7H,1,4H2,2-3H3.
What are the key properties of methyl 2-(methylaminomethyl)prop-2-enoate?
methyl 2-(methylaminomethyl)prop-2-enoate has a molecular weight of 129.16 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylaminomethyl)prop-2-enoate is sourced from PubChem (CID 10887929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).