[1-(ethylamino)-1-oxohexan-2-yl] prop-2-enoate

C11H19NO3 — CID 91026997

IUPAC[1-(ethylamino)-1-oxohexan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(CCCC)C(=O)NCC
InChIInChI=1S/C11H19NO3/c1-4-7-8-9(11(14)12-6-3)15-10(13)5-2/h5,9H,2,4,6-8H2,1,3H3,(H,12,14)
InChIKeyKXDRWZMPNSHETK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.41
Rot. Bonds7

About [1-(ethylamino)-1-oxohexan-2-yl] prop-2-enoate

[1-(ethylamino)-1-oxohexan-2-yl] prop-2-enoate (PubChem CID 91026997) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [1-(ethylamino)-1-oxohexan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[1-(ethylamino)-1-oxohexan-2-yl] prop-2-enoate
PubChem CID91026997
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[1-(ethylamino)-1-oxohexan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(CCCC)C(=O)NCC
InChIInChI=1S/C11H19NO3/c1-4-7-8-9(11(14)12-6-3)15-10(13)5-2/h5,9H,2,4,6-8H2,1,3H3,(H,12,14)
InChIKeyKXDRWZMPNSHETK-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Dodecanoylamino)ethyl prop-2-enoate
CID 101646574
[1-Oxo-1-(propylamino)propan-2-yl] prop-2-enoate
CID 19832803
N-acryloxyethylundecylamide
CID 21196858
[2-(Nonylamino)-2-oxoethyl] prop-2-enoate
CID 23017872
[1-[Ethyl(hydroxy)amino]-1-oxohexan-2-yl] prop-2-enoate
CID 53723858
[1-Oxo-1-(propylamino)hexan-3-yl] prop-2-enoate
CID 53753354
[1-(Ethylamino)-2-hydroxy-1-oxohexan-2-yl] prop-2-enoate
CID 53781952
[1-(Butylamino)-1-oxopropan-2-yl] prop-2-enoate
CID 54253301
[1-(Ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate
CID 54519937
[(2S)-1-(ethylamino)-2-hydroxy-1-oxohexan-2-yl] prop-2-enoate
CID 57038144
[1-(Ethylamino)-6-hydroxy-1-oxohexan-2-yl] prop-2-enoate
CID 88054359
[1-(Ethylamino)-1-oxopentan-2-yl] prop-2-enoate
CID 88236961

Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-1-oxohexan-2-yl] prop-2-enoate?
The IUPAC name of [1-(ethylamino)-1-oxohexan-2-yl] prop-2-enoate (CID 91026997) is [1-(ethylamino)-1-oxohexan-2-yl] prop-2-enoate.
What is the SMILES notation for [1-(ethylamino)-1-oxohexan-2-yl] prop-2-enoate?
The canonical SMILES for [1-(ethylamino)-1-oxohexan-2-yl] prop-2-enoate is C=CC(=O)OC(CCCC)C(=O)NCC.
What is the InChIKey of [1-(ethylamino)-1-oxohexan-2-yl] prop-2-enoate?
The InChIKey is KXDRWZMPNSHETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-7-8-9(11(14)12-6-3)15-10(13)5-2/h5,9H,2,4,6-8H2,1,3H3,(H,12,14).
What are the key properties of [1-(ethylamino)-1-oxohexan-2-yl] prop-2-enoate?
[1-(ethylamino)-1-oxohexan-2-yl] prop-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-1-oxohexan-2-yl] prop-2-enoate is sourced from PubChem (CID 91026997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).