2-(dimethylamino)ethyl prop-2-enoate

C7H13NO2 — CID 17111

IUPAC2-(dimethylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(C)C
InChIInChI=1S/C7H13NO2/c1-4-7(9)10-6-5-8(2)3/h4H,1,5-6H2,2-3H3
InChIKeyDPBJAVGHACCNRL-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.28
Rot. Bonds4

About 2-(dimethylamino)ethyl prop-2-enoate

2-(dimethylamino)ethyl prop-2-enoate (PubChem CID 17111) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl prop-2-enoate
PubChem CID17111
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(dimethylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(C)C
InChIInChI=1S/C7H13NO2/c1-4-7(9)10-6-5-8(2)3/h4H,1,5-6H2,2-3H3
InChIKeyDPBJAVGHACCNRL-UHFFFAOYSA-N
XLogP0.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.28
H-Bond Donors ≤ 50
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 2-(dimethylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(dimethylamino)ethyl prop-2-enoate (CID 17111) is 2-(dimethylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(dimethylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(dimethylamino)ethyl prop-2-enoate is C=CC(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl prop-2-enoate?
The InChIKey is DPBJAVGHACCNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-7(9)10-6-5-8(2)3/h4H,1,5-6H2,2-3H3.
What are the key properties of 2-(dimethylamino)ethyl prop-2-enoate?
2-(dimethylamino)ethyl prop-2-enoate has a molecular weight of 143.19 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl prop-2-enoate is sourced from PubChem (CID 17111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).