N-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide

C7H12N2O2 — CID 135052184

IUPACN-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide
SMILESCCC(=O)N/C(=C\N)C(C)=O
InChIInChI=1S/C7H12N2O2/c1-3-7(11)9-6(4-8)5(2)10/h4H,3,8H2,1-2H3,(H,9,11)/b6-4-
InChIKeyFOQFQPLVKOKAQM-XQRVVYSFSA-N
MW156.19 g/mol
LogP-0.10
Rot. Bonds3

About N-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide

N-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide (PubChem CID 135052184) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide
PubChem CID135052184
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide
SMILESCCC(=O)N/C(=C\N)C(C)=O
InChIInChI=1S/C7H12N2O2/c1-3-7(11)9-6(4-8)5(2)10/h4H,3,8H2,1-2H3,(H,9,11)/b6-4-
InChIKeyFOQFQPLVKOKAQM-XQRVVYSFSA-N
XLogP-0.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2,2,2-trifluoroacetamide
CID 135052328
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide
CID 55288608
N-(3-Oxobut-1-EN-2-YL)acetamide
CID 12739441
N-[(Z)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide
CID 13483380
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2-(dimethylamino)acetamide
CID 133662996
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide
CID 134891441
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2,2-dimethylpropanamide
CID 134891445
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide
CID 135052314
N-[(E)-1-amino-3-oxobut-1-en-2-yl]-2,2,2-trifluoroacetamide
CID 133633670
Acetamide, N-(2-dimethylamino-3-oxo-1-butenyl)-
CID 5363162
Acetamide, N-(1-dimethylaminomethylene-2-oxopropyl)-
CID 5374217
N-[(E)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide
CID 133668669

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide?
The IUPAC name of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide (CID 135052184) is N-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide.
What is the SMILES notation for N-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide?
The canonical SMILES for N-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide is CCC(=O)N/C(=C\N)C(C)=O.
What is the InChIKey of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide?
The InChIKey is FOQFQPLVKOKAQM-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-7(11)9-6(4-8)5(2)10/h4H,3,8H2,1-2H3,(H,9,11)/b6-4-.
What are the key properties of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide?
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide has a molecular weight of 156.19 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide is sourced from PubChem (CID 135052184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).