2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate

C11H19NO2 — CID 87914656

IUPAC2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=CCCN(C)CCOC(=O)C(=C)C
InChIInChI=1S/C11H19NO2/c1-5-6-7-12(4)8-9-14-11(13)10(2)3/h5H,1-2,6-9H2,3-4H3
InChIKeyKDQXZJFAKYVDQX-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds7

About 2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate

2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 87914656) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate
PubChem CID87914656
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=CCCN(C)CCOC(=O)C(=C)C
InChIInChI=1S/C11H19NO2/c1-5-6-7-12(4)8-9-14-11(13)10(2)3/h5H,1-2,6-9H2,3-4H3
InChIKeyKDQXZJFAKYVDQX-UHFFFAOYSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 88902342
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate
CID 123405363
2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate
CID 163436746
3-[methyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]propane-1-sulfonic acid
CID 89470521
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
2-[formyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 87157712
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289

Frequently Asked Questions

What is the IUPAC name of 2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate (CID 87914656) is 2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate is C=CCCN(C)CCOC(=O)C(=C)C.
What is the InChIKey of 2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is KDQXZJFAKYVDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-6-7-12(4)8-9-14-11(13)10(2)3/h5H,1-2,6-9H2,3-4H3.
What are the key properties of 2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate?
2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 197.28 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87914656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).