(Z)-N-(2-aminoethyl)-4-oxobut-2-enamide

C6H10N2O2 — CID 88954023

IUPAC(Z)-N-(2-aminoethyl)-4-oxobut-2-enamide
SMILESNCCNC(=O)/C=C\C=O
InChIInChI=1S/C6H10N2O2/c7-3-4-8-6(10)2-1-5-9/h1-2,5H,3-4,7H2,(H,8,10)/b2-1-
InChIKeyRINAIPMTVAMWSJ-UPHRSURJSA-N
MW142.16 g/mol
LogP-1.18
Rot. Bonds4

About (Z)-N-(2-aminoethyl)-4-oxobut-2-enamide

(Z)-N-(2-aminoethyl)-4-oxobut-2-enamide (PubChem CID 88954023) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (Z)-N-(2-aminoethyl)-4-oxobut-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-aminoethyl)-4-oxobut-2-enamide
PubChem CID88954023
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(Z)-N-(2-aminoethyl)-4-oxobut-2-enamide
SMILESNCCNC(=O)/C=C\C=O
InChIInChI=1S/C6H10N2O2/c7-3-4-8-6(10)2-1-5-9/h1-2,5H,3-4,7H2,(H,8,10)/b2-1-
InChIKeyRINAIPMTVAMWSJ-UPHRSURJSA-N
XLogP-1.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-aminoethyl)-4-oxobut-2-enamide?
The IUPAC name of (Z)-N-(2-aminoethyl)-4-oxobut-2-enamide (CID 88954023) is (Z)-N-(2-aminoethyl)-4-oxobut-2-enamide.
What is the SMILES notation for (Z)-N-(2-aminoethyl)-4-oxobut-2-enamide?
The canonical SMILES for (Z)-N-(2-aminoethyl)-4-oxobut-2-enamide is NCCNC(=O)/C=C\C=O.
What is the InChIKey of (Z)-N-(2-aminoethyl)-4-oxobut-2-enamide?
The InChIKey is RINAIPMTVAMWSJ-UPHRSURJSA-N. The full InChI is InChI=1S/C6H10N2O2/c7-3-4-8-6(10)2-1-5-9/h1-2,5H,3-4,7H2,(H,8,10)/b2-1-.
What are the key properties of (Z)-N-(2-aminoethyl)-4-oxobut-2-enamide?
(Z)-N-(2-aminoethyl)-4-oxobut-2-enamide has a molecular weight of 142.16 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-aminoethyl)-4-oxobut-2-enamide is sourced from PubChem (CID 88954023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).