N-(3-oxobutan-2-yl)prop-2-enamide

C7H11NO2 — CID 19357508

IUPACN-(3-oxobutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)C(C)=O
InChIInChI=1S/C7H11NO2/c1-4-7(10)8-5(2)6(3)9/h4-5H,1H2,2-3H3,(H,8,10)
InChIKeyOHWATYQUBHZCAD-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.27
Rot. Bonds3

About N-(3-oxobutan-2-yl)prop-2-enamide

N-(3-oxobutan-2-yl)prop-2-enamide (PubChem CID 19357508) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(3-oxobutan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-oxobutan-2-yl)prop-2-enamide
PubChem CID19357508
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-(3-oxobutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)C(C)=O
InChIInChI=1S/C7H11NO2/c1-4-7(10)8-5(2)6(3)9/h4-5H,1H2,2-3H3,(H,8,10)
InChIKeyOHWATYQUBHZCAD-UHFFFAOYSA-N
XLogP0.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-oxobutan-2-yl)prop-2-enamide?
The IUPAC name of N-(3-oxobutan-2-yl)prop-2-enamide (CID 19357508) is N-(3-oxobutan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(3-oxobutan-2-yl)prop-2-enamide?
The canonical SMILES for N-(3-oxobutan-2-yl)prop-2-enamide is C=CC(=O)NC(C)C(C)=O.
What is the InChIKey of N-(3-oxobutan-2-yl)prop-2-enamide?
The InChIKey is OHWATYQUBHZCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-7(10)8-5(2)6(3)9/h4-5H,1H2,2-3H3,(H,8,10).
What are the key properties of N-(3-oxobutan-2-yl)prop-2-enamide?
N-(3-oxobutan-2-yl)prop-2-enamide has a molecular weight of 141.17 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxobutan-2-yl)prop-2-enamide is sourced from PubChem (CID 19357508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).