3-oxo-N-prop-1-enylbutanamide

C7H11NO2 — CID 85446068

IUPAC3-oxo-N-prop-1-enylbutanamide
SMILESCC=CNC(=O)CC(C)=O
InChIInChI=1S/C7H11NO2/c1-3-4-8-7(10)5-6(2)9/h3-4H,5H2,1-2H3,(H,8,10)
InChIKeyXXJFBWUUBQOTPY-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.62
Rot. Bonds3

About 3-oxo-N-prop-1-enylbutanamide

3-oxo-N-prop-1-enylbutanamide (PubChem CID 85446068) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-oxo-N-prop-1-enylbutanamide.

Molecular Properties

Compound Name3-oxo-N-prop-1-enylbutanamide
PubChem CID85446068
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-oxo-N-prop-1-enylbutanamide
SMILESCC=CNC(=O)CC(C)=O
InChIInChI=1S/C7H11NO2/c1-3-4-8-7(10)5-6(2)9/h3-4H,5H2,1-2H3,(H,8,10)
InChIKeyXXJFBWUUBQOTPY-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-Oxo-N-2-propen-1-ylbutanamide
CID 537215
N-ethenyl-3-oxobutanamide
CID 23370741
N-prop-1-enylbutanamide
CID 57083109
N'-[(E)-prop-1-enyl]butanediamide
CID 89169529
ethane;N-ethenyl-3-oxobutanamide
CID 145233762
N-[(Z)-prop-1-enyl]propanamide
CID 177000208
N-[(Z)-prop-1-enyl]butanamide
CID 178994586
Butanamide, 3-oxo-N-1-propenyl-, (E)-(9CI)
CID 15686701
4-amino-N-[(E)-prop-1-enyl]butanamide
CID 131247646
N-[(E)-prop-1-enyl]propanamide
CID 143238282

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-prop-1-enylbutanamide?
The IUPAC name of 3-oxo-N-prop-1-enylbutanamide (CID 85446068) is 3-oxo-N-prop-1-enylbutanamide.
What is the SMILES notation for 3-oxo-N-prop-1-enylbutanamide?
The canonical SMILES for 3-oxo-N-prop-1-enylbutanamide is CC=CNC(=O)CC(C)=O.
What is the InChIKey of 3-oxo-N-prop-1-enylbutanamide?
The InChIKey is XXJFBWUUBQOTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-8-7(10)5-6(2)9/h3-4H,5H2,1-2H3,(H,8,10).
What are the key properties of 3-oxo-N-prop-1-enylbutanamide?
3-oxo-N-prop-1-enylbutanamide has a molecular weight of 141.17 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-prop-1-enylbutanamide is sourced from PubChem (CID 85446068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).