methyl 5-(diethylamino)-2-methylpent-2-enoate

C11H21NO2 — CID 57196241

IUPACmethyl 5-(diethylamino)-2-methylpent-2-enoate
SMILESCCN(CC)CCC=C(C)C(=O)OC
InChIInChI=1S/C11H21NO2/c1-5-12(6-2)9-7-8-10(3)11(13)14-4/h8H,5-7,9H2,1-4H3
InChIKeyIUKLESISKZMYCD-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.84
Rot. Bonds6

About methyl 5-(diethylamino)-2-methylpent-2-enoate

methyl 5-(diethylamino)-2-methylpent-2-enoate (PubChem CID 57196241) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 5-(diethylamino)-2-methylpent-2-enoate.

Molecular Properties

Compound Namemethyl 5-(diethylamino)-2-methylpent-2-enoate
PubChem CID57196241
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 5-(diethylamino)-2-methylpent-2-enoate
SMILESCCN(CC)CCC=C(C)C(=O)OC
InChIInChI=1S/C11H21NO2/c1-5-12(6-2)9-7-8-10(3)11(13)14-4/h8H,5-7,9H2,1-4H3
InChIKeyIUKLESISKZMYCD-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 methyl 5-(diethylamino)-2-methylpent-2-enoate?
The IUPAC name of methyl 5-(diethylamino)-2-methylpent-2-enoate (CID 57196241) is methyl 5-(diethylamino)-2-methylpent-2-enoate.
What is the SMILES notation for methyl 5-(diethylamino)-2-methylpent-2-enoate?
The canonical SMILES for methyl 5-(diethylamino)-2-methylpent-2-enoate is CCN(CC)CCC=C(C)C(=O)OC.
What is the InChIKey of methyl 5-(diethylamino)-2-methylpent-2-enoate?
The InChIKey is IUKLESISKZMYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-12(6-2)9-7-8-10(3)11(13)14-4/h8H,5-7,9H2,1-4H3.
What are the key properties of methyl 5-(diethylamino)-2-methylpent-2-enoate?
methyl 5-(diethylamino)-2-methylpent-2-enoate 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 methyl 5-(diethylamino)-2-methylpent-2-enoate is sourced from PubChem (CID 57196241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).