methyl 4-(diethylamino)-2-methylpent-4-enoate

C11H21NO2 — CID 88931585

IUPACmethyl 4-(diethylamino)-2-methylpent-4-enoate
SMILESC=C(CC(C)C(=O)OC)N(CC)CC
InChIInChI=1S/C11H21NO2/c1-6-12(7-2)10(4)8-9(3)11(13)14-5/h9H,4,6-8H2,1-3,5H3
InChIKeyLUCUJBHOFMBATN-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.04
Rot. Bonds6

About methyl 4-(diethylamino)-2-methylpent-4-enoate

methyl 4-(diethylamino)-2-methylpent-4-enoate (PubChem CID 88931585) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 4-(diethylamino)-2-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl 4-(diethylamino)-2-methylpent-4-enoate
PubChem CID88931585
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 4-(diethylamino)-2-methylpent-4-enoate
SMILESC=C(CC(C)C(=O)OC)N(CC)CC
InChIInChI=1S/C11H21NO2/c1-6-12(7-2)10(4)8-9(3)11(13)14-5/h9H,4,6-8H2,1-3,5H3
InChIKeyLUCUJBHOFMBATN-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(diethylamino)-2-methylpent-4-enoate?
The IUPAC name of methyl 4-(diethylamino)-2-methylpent-4-enoate (CID 88931585) is methyl 4-(diethylamino)-2-methylpent-4-enoate.
What is the SMILES notation for methyl 4-(diethylamino)-2-methylpent-4-enoate?
The canonical SMILES for methyl 4-(diethylamino)-2-methylpent-4-enoate is C=C(CC(C)C(=O)OC)N(CC)CC.
What is the InChIKey of methyl 4-(diethylamino)-2-methylpent-4-enoate?
The InChIKey is LUCUJBHOFMBATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-12(7-2)10(4)8-9(3)11(13)14-5/h9H,4,6-8H2,1-3,5H3.
What are the key properties of methyl 4-(diethylamino)-2-methylpent-4-enoate?
methyl 4-(diethylamino)-2-methylpent-4-enoate has a molecular weight of 199.29 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(diethylamino)-2-methylpent-4-enoate is sourced from PubChem (CID 88931585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).