ethyl 2-methylprop-2-enoate;N-methylethanamine

C9H19NO2 — CID 22596653

IUPACethyl 2-methylprop-2-enoate;N-methylethanamine
SMILESC=C(C)C(=O)OCC.CCNC
InChIInChI=1S/C6H10O2.C3H9N/c1-4-8-6(7)5(2)3;1-3-4-2/h2,4H2,1,3H3;4H,3H2,1-2H3
InChIKeySLAMXOMBJQUHSV-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.35
Rot. Bonds3

About ethyl 2-methylprop-2-enoate;N-methylethanamine

ethyl 2-methylprop-2-enoate;N-methylethanamine (PubChem CID 22596653) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethyl 2-methylprop-2-enoate;N-methylethanamine.

Molecular Properties

Compound Nameethyl 2-methylprop-2-enoate;N-methylethanamine
PubChem CID22596653
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethyl 2-methylprop-2-enoate;N-methylethanamine
SMILESC=C(C)C(=O)OCC.CCNC
InChIInChI=1S/C6H10O2.C3H9N/c1-4-8-6(7)5(2)3;1-3-4-2/h2,4H2,1,3H3;4H,3H2,1-2H3
InChIKeySLAMXOMBJQUHSV-UHFFFAOYSA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.35
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 ethyl 2-methylprop-2-enoate;N-methylethanamine?
The IUPAC name of ethyl 2-methylprop-2-enoate;N-methylethanamine (CID 22596653) is ethyl 2-methylprop-2-enoate;N-methylethanamine.
What is the SMILES notation for ethyl 2-methylprop-2-enoate;N-methylethanamine?
The canonical SMILES for ethyl 2-methylprop-2-enoate;N-methylethanamine is C=C(C)C(=O)OCC.CCNC.
What is the InChIKey of ethyl 2-methylprop-2-enoate;N-methylethanamine?
The InChIKey is SLAMXOMBJQUHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C3H9N/c1-4-8-6(7)5(2)3;1-3-4-2/h2,4H2,1,3H3;4H,3H2,1-2H3.
What are the key properties of ethyl 2-methylprop-2-enoate;N-methylethanamine?
ethyl 2-methylprop-2-enoate;N-methylethanamine has a molecular weight of 173.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylprop-2-enoate;N-methylethanamine is sourced from PubChem (CID 22596653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).