[3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate

C9H13NO3 — CID 151233614

IUPAC[3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=CC(=O)NCC
InChIInChI=1S/C9H13NO3/c1-4-10-8(11)5-6-13-9(12)7(2)3/h5-6H,2,4H2,1,3H3,(H,10,11)
InChIKeyNOUTWRHEWKNKRZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.76
Rot. Bonds4

About [3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate

[3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate (PubChem CID 151233614) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is [3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate
PubChem CID151233614
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name[3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=CC(=O)NCC
InChIInChI=1S/C9H13NO3/c1-4-10-8(11)5-6-13-9(12)7(2)3/h5-6H,2,4H2,1,3H3,(H,10,11)
InChIKeyNOUTWRHEWKNKRZ-UHFFFAOYSA-N
XLogP0.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N'-diethylbut-2-enediamide
CID 22015135
ethylcarbamoyl 2-methylprop-2-eneperoxoate
CID 87088549
N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene
CID 91512805
[(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate
CID 139627237
2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane
CID 161409865
(Z)-N-ethyl-4-oxohex-2-enamide
CID 88554244
methyl (E)-4-(ethylamino)-2-methyl-4-oxobut-2-enoate
CID 177013425
[7-(ethylamino)-7-oxoheptyl] 2-methylprop-2-enoate
CID 87413355
2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen
CID 163302346
(Z)-3-cyano-N-ethylprop-2-enamide
CID 166882197
[2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
CID 134452927
(E)-3-cyclobutyl-N-ethylprop-2-enamide
CID 131232424

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate?
The IUPAC name of [3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate (CID 151233614) is [3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC=CC(=O)NCC.
What is the InChIKey of [3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate?
The InChIKey is NOUTWRHEWKNKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-4-10-8(11)5-6-13-9(12)7(2)3/h5-6H,2,4H2,1,3H3,(H,10,11).
What are the key properties of [3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate?
[3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate has a molecular weight of 183.21 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate is sourced from PubChem (CID 151233614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).