N-(2-oxobut-3-enyl)prop-2-enamide

C7H9NO2 — CID 14121209

IUPACN-(2-oxobut-3-enyl)prop-2-enamide
SMILESC=CC(=O)CNC(=O)C=C
InChIInChI=1S/C7H9NO2/c1-3-6(9)5-8-7(10)4-2/h3-4H,1-2,5H2,(H,8,10)
InChIKeyOXFYOHJTXKMFAY-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.04
Rot. Bonds4

About N-(2-oxobut-3-enyl)prop-2-enamide

N-(2-oxobut-3-enyl)prop-2-enamide (PubChem CID 14121209) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is N-(2-oxobut-3-enyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-oxobut-3-enyl)prop-2-enamide
PubChem CID14121209
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC NameN-(2-oxobut-3-enyl)prop-2-enamide
SMILESC=CC(=O)CNC(=O)C=C
InChIInChI=1S/C7H9NO2/c1-3-6(9)5-8-7(10)4-2/h3-4H,1-2,5H2,(H,8,10)
InChIKeyOXFYOHJTXKMFAY-UHFFFAOYSA-N
XLogP0.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.04
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-(2-oxobut-3-enyl)prop-2-enamide?
The IUPAC name of N-(2-oxobut-3-enyl)prop-2-enamide (CID 14121209) is N-(2-oxobut-3-enyl)prop-2-enamide.
What is the SMILES notation for N-(2-oxobut-3-enyl)prop-2-enamide?
The canonical SMILES for N-(2-oxobut-3-enyl)prop-2-enamide is C=CC(=O)CNC(=O)C=C.
What is the InChIKey of N-(2-oxobut-3-enyl)prop-2-enamide?
The InChIKey is OXFYOHJTXKMFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-3-6(9)5-8-7(10)4-2/h3-4H,1-2,5H2,(H,8,10).
What are the key properties of N-(2-oxobut-3-enyl)prop-2-enamide?
N-(2-oxobut-3-enyl)prop-2-enamide has a molecular weight of 139.15 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxobut-3-enyl)prop-2-enamide is sourced from PubChem (CID 14121209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).