prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate

C11H15NO3 — CID 139567559

IUPACprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
SMILESC=CCOC(=O)C(=O)N(CC=C)CC=C
InChIInChI=1S/C11H15NO3/c1-4-7-12(8-5-2)10(13)11(14)15-9-6-3/h4-6H,1-3,7-9H2
InChIKeyNUABXUOGHJEVHO-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.92
Rot. Bonds6

About prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate

prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate (PubChem CID 139567559) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
PubChem CID139567559
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
SMILESC=CCOC(=O)C(=O)N(CC=C)CC=C
InChIInChI=1S/C11H15NO3/c1-4-7-12(8-5-2)10(13)11(14)15-9-6-3/h4-6H,1-3,7-9H2
InChIKeyNUABXUOGHJEVHO-UHFFFAOYSA-N
XLogP0.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoroprop-2-ynyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
CID 139567732
amino N,N-bis(prop-2-enyl)carbamate
CID 88511784
2-oxo-2-prop-2-enoxyacetate
CID 18533281
ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
CID 87228347
tetrakis(2-oxo-2-prop-2-enoxyacetate);titanium(4+)
CID 173131012
4-[bis(prop-2-enyl)amino]-3,4-dioxobutanoic acid
CID 20633701
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
prop-2-enyl N,N-bis(hydroxymethyl)carbamate
CID 54415471
bis(prop-2-enyl)carbamothioic S-acid;carbamothioic S-acid
CID 87059651
prop-2-enyl 2-methylidenebutanoate
CID 12684713
bis(prop-2-enyl) carbonate;ethene
CID 87465968
prop-2-enyl 2-aminopenta-2,4-dienoate
CID 173160636

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate?
The IUPAC name of prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate (CID 139567559) is prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate.
What is the SMILES notation for prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate?
The canonical SMILES for prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate is C=CCOC(=O)C(=O)N(CC=C)CC=C.
What is the InChIKey of prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate?
The InChIKey is NUABXUOGHJEVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-7-12(8-5-2)10(13)11(14)15-9-6-3/h4-6H,1-3,7-9H2.
What are the key properties of prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate?
prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate has a molecular weight of 209.24 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate is sourced from PubChem (CID 139567559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).