2-(dimethylamino)ethyl 2-ethylidenepentanoate

C11H21NO2 — CID 141192479

IUPAC2-(dimethylamino)ethyl 2-ethylidenepentanoate
SMILESCC=C(CCC)C(=O)OCCN(C)C
InChIInChI=1S/C11H21NO2/c1-5-7-10(6-2)11(13)14-9-8-12(3)4/h6H,5,7-9H2,1-4H3
InChIKeyALHYOWXDWPQPJI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.84
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-ethylidenepentanoate

2-(dimethylamino)ethyl 2-ethylidenepentanoate (PubChem CID 141192479) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-ethylidenepentanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-ethylidenepentanoate
PubChem CID141192479
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(dimethylamino)ethyl 2-ethylidenepentanoate
SMILESCC=C(CCC)C(=O)OCCN(C)C
InChIInChI=1S/C11H21NO2/c1-5-7-10(6-2)11(13)14-9-8-12(3)4/h6H,5,7-9H2,1-4H3
InChIKeyALHYOWXDWPQPJI-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.84
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 2-ethylidenepentanoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-ethylidenepentanoate (CID 141192479) is 2-(dimethylamino)ethyl 2-ethylidenepentanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-ethylidenepentanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-ethylidenepentanoate is CC=C(CCC)C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 2-ethylidenepentanoate?
The InChIKey is ALHYOWXDWPQPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-7-10(6-2)11(13)14-9-8-12(3)4/h6H,5,7-9H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl 2-ethylidenepentanoate?
2-(dimethylamino)ethyl 2-ethylidenepentanoate has a molecular weight of 199.29 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-ethylidenepentanoate is sourced from PubChem (CID 141192479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).