methyl 2-(diethylamino)-3-ethenylideneheptanoate

C14H25NO2 — CID 12548498

IUPACmethyl 2-(diethylamino)-3-ethenylideneheptanoate
SMILESC=C=C(CCCC)C(C(=O)OC)N(CC)CC
InChIInChI=1S/C14H25NO2/c1-6-10-11-12(7-2)13(14(16)17-5)15(8-3)9-4/h13H,2,6,8-11H2,1,3-5H3
InChIKeyVJMHGZHWNPMODG-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.77
Rot. Bonds8

About methyl 2-(diethylamino)-3-ethenylideneheptanoate

methyl 2-(diethylamino)-3-ethenylideneheptanoate (PubChem CID 12548498) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl 2-(diethylamino)-3-ethenylideneheptanoate.

Molecular Properties

Compound Namemethyl 2-(diethylamino)-3-ethenylideneheptanoate
PubChem CID12548498
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl 2-(diethylamino)-3-ethenylideneheptanoate
SMILESC=C=C(CCCC)C(C(=O)OC)N(CC)CC
InChIInChI=1S/C14H25NO2/c1-6-10-11-12(7-2)13(14(16)17-5)15(8-3)9-4/h13H,2,6,8-11H2,1,3-5H3
InChIKeyVJMHGZHWNPMODG-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(diethylamino)-3-ethenylideneheptanoate?
The IUPAC name of methyl 2-(diethylamino)-3-ethenylideneheptanoate (CID 12548498) is methyl 2-(diethylamino)-3-ethenylideneheptanoate.
What is the SMILES notation for methyl 2-(diethylamino)-3-ethenylideneheptanoate?
The canonical SMILES for methyl 2-(diethylamino)-3-ethenylideneheptanoate is C=C=C(CCCC)C(C(=O)OC)N(CC)CC.
What is the InChIKey of methyl 2-(diethylamino)-3-ethenylideneheptanoate?
The InChIKey is VJMHGZHWNPMODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-6-10-11-12(7-2)13(14(16)17-5)15(8-3)9-4/h13H,2,6,8-11H2,1,3-5H3.
What are the key properties of methyl 2-(diethylamino)-3-ethenylideneheptanoate?
methyl 2-(diethylamino)-3-ethenylideneheptanoate has a molecular weight of 239.36 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(diethylamino)-3-ethenylideneheptanoate is sourced from PubChem (CID 12548498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).