2-(dimethylamino)ethyl 2-methylpent-2-enoate

C10H19NO2 — CID 91329578

IUPAC2-(dimethylamino)ethyl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OCCN(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-9(2)10(12)13-8-7-11(3)4/h6H,5,7-8H2,1-4H3
InChIKeyDSIQLRRZKYTANM-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.45
Rot. Bonds5

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

2-(dimethylamino)ethyl 2-methylpent-2-enoate (PubChem CID 91329578) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methylpent-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methylpent-2-enoate
PubChem CID91329578
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(dimethylamino)ethyl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OCCN(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-9(2)10(12)13-8-7-11(3)4/h6H,5,7-8H2,1-4H3
InChIKeyDSIQLRRZKYTANM-UHFFFAOYSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.45
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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Related Compounds

2-hydroxyethyl 2-methylpent-2-enoate
CID 137318053
4-[2-(dimethylamino)ethoxy]-3-methyl-4-oxobut-2-enoate
CID 71372280
ethyl (E)-2-methylpent-2-enoate
CID 6436311
hydroxymethyl (E)-2-methylpent-2-enoate
CID 90459718
2-(dimethylamino)ethyl 2,5-dimethyl-4-oxohexa-2,5-dienoate
CID 139703809
chloromethyl 2-methylpent-2-enoate
CID 174869785
(4-methyl-3-oxopent-4-enyl) 2-methylpent-2-enoate
CID 91164062
2-(dimethylamino)ethyl 2-amino-2-oxoacetate
CID 89128247
2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate
CID 174335600
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate
CID 163864906

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-methylpent-2-enoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-methylpent-2-enoate (CID 91329578) is 2-(dimethylamino)ethyl 2-methylpent-2-enoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methylpent-2-enoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methylpent-2-enoate is CCC=C(C)C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methylpent-2-enoate?
The InChIKey is DSIQLRRZKYTANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-9(2)10(12)13-8-7-11(3)4/h6H,5,7-8H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl 2-methylpent-2-enoate?
2-(dimethylamino)ethyl 2-methylpent-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-methylpent-2-enoate is sourced from PubChem (CID 91329578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).