1-aminoethenyl 4-(ethenylamino)-4-oxobutanoate

C8H12N2O3 — CID 87744186

IUPAC1-aminoethenyl 4-(ethenylamino)-4-oxobutanoate
SMILESC=CNC(=O)CCC(=O)OC(=C)N
InChIInChI=1S/C8H12N2O3/c1-3-10-7(11)4-5-8(12)13-6(2)9/h3H,1-2,4-5,9H2,(H,10,11)
InChIKeyUNHWQZLLRZTWLS-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.00
Rot. Bonds5

About 1-aminoethenyl 4-(ethenylamino)-4-oxobutanoate

1-aminoethenyl 4-(ethenylamino)-4-oxobutanoate (PubChem CID 87744186) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-aminoethenyl 4-(ethenylamino)-4-oxobutanoate.

Molecular Properties

Compound Name1-aminoethenyl 4-(ethenylamino)-4-oxobutanoate
PubChem CID87744186
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-aminoethenyl 4-(ethenylamino)-4-oxobutanoate
SMILESC=CNC(=O)CCC(=O)OC(=C)N
InChIInChI=1S/C8H12N2O3/c1-3-10-7(11)4-5-8(12)13-6(2)9/h3H,1-2,4-5,9H2,(H,10,11)
InChIKeyUNHWQZLLRZTWLS-UHFFFAOYSA-N
XLogP-0.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-O-(4-oxo-4-prop-2-enoxybutanoyl) 1-O-prop-2-enyl butanedioate
CID 11822629
N-ethenyldodecanamide
CID 21219286
4-O-carbamoyl 1-O-methyl butanedioate
CID 175302695
azane;1-O-methyl 4-O-prop-2-enoyl butanedioate
CID 174803065
N-ethenyl-2-methylidenebutanamide
CID 151420666
N-ethenyl-3-[3-[3-(ethenylamino)-3-oxopropyl]phenyl]propanamide
CID 19065675
N,N-dimethylmethanamine;ethenylcarbamic acid
CID 137498610
4-oxo-4-(3-oxopent-4-enoyloxy)butanoic acid
CID 174954894
potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate
CID 174803239
N-methoxy-4-methylpent-4-enamide
CID 135084610
bis(2-methylpropyl) butanedioate;prop-1-ene
CID 159366466
N-ethenyloctadeca-9,12,15-trienamide
CID 90956698

Frequently Asked Questions

What is the IUPAC name of 1-aminoethenyl 4-(ethenylamino)-4-oxobutanoate?
The IUPAC name of 1-aminoethenyl 4-(ethenylamino)-4-oxobutanoate (CID 87744186) is 1-aminoethenyl 4-(ethenylamino)-4-oxobutanoate.
What is the SMILES notation for 1-aminoethenyl 4-(ethenylamino)-4-oxobutanoate?
The canonical SMILES for 1-aminoethenyl 4-(ethenylamino)-4-oxobutanoate is C=CNC(=O)CCC(=O)OC(=C)N.
What is the InChIKey of 1-aminoethenyl 4-(ethenylamino)-4-oxobutanoate?
The InChIKey is UNHWQZLLRZTWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-10-7(11)4-5-8(12)13-6(2)9/h3H,1-2,4-5,9H2,(H,10,11).
What are the key properties of 1-aminoethenyl 4-(ethenylamino)-4-oxobutanoate?
1-aminoethenyl 4-(ethenylamino)-4-oxobutanoate has a molecular weight of 184.19 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethenyl 4-(ethenylamino)-4-oxobutanoate is sourced from PubChem (CID 87744186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).