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

C9H16N2O2 — CID 134891445

IUPACN-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2,2-dimethylpropanamide
SMILESCC(=O)/C(=C/N)NC(=O)C(C)(C)C
InChIInChI=1S/C9H16N2O2/c1-6(12)7(5-10)11-8(13)9(2,3)4/h5H,10H2,1-4H3,(H,11,13)/b7-5-
InChIKeyMFGWAWMQSUPLIQ-ALCCZGGFSA-N
MW184.24 g/mol
LogP0.54
Rot. Bonds2

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

N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2,2-dimethylpropanamide (PubChem CID 134891445) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2,2-dimethylpropanamide
PubChem CID134891445
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2,2-dimethylpropanamide
SMILESCC(=O)/C(=C/N)NC(=O)C(C)(C)C
InChIInChI=1S/C9H16N2O2/c1-6(12)7(5-10)11-8(13)9(2,3)4/h5H,10H2,1-4H3,(H,11,13)/b7-5-
InChIKeyMFGWAWMQSUPLIQ-ALCCZGGFSA-N
XLogP0.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.54
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2,2-dimethylpropanamide (CID 134891445) is N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2,2-dimethylpropanamide is CC(=O)/C(=C/N)NC(=O)C(C)(C)C.
What is the InChIKey of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2,2-dimethylpropanamide?
The InChIKey is MFGWAWMQSUPLIQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(12)7(5-10)11-8(13)9(2,3)4/h5H,10H2,1-4H3,(H,11,13)/b7-5-.
What are the key properties of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2,2-dimethylpropanamide?
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-2,2-dimethylpropanamide has a molecular weight of 184.24 g/mol, XLogP of 0.54, 2 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 134891445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).