N-[(Z)-2-benzoylbut-1-enyl]propanamide

C14H17NO2 — CID 134891678

IUPACN-[(Z)-2-benzoylbut-1-enyl]propanamide
SMILESCCC(=O)N/C=C(/CC)C(=O)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-3-11(10-15-13(16)4-2)14(17)12-8-6-5-7-9-12/h5-10H,3-4H2,1-2H3,(H,15,16)/b11-10-
InChIKeyQWFFFMBCTVLRHF-KHPPLWFESA-N
MW231.29 g/mol
LogP2.69
Rot. Bonds5

About N-[(Z)-2-benzoylbut-1-enyl]propanamide

N-[(Z)-2-benzoylbut-1-enyl]propanamide (PubChem CID 134891678) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[(Z)-2-benzoylbut-1-enyl]propanamide.

Molecular Properties

Compound NameN-[(Z)-2-benzoylbut-1-enyl]propanamide
PubChem CID134891678
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-[(Z)-2-benzoylbut-1-enyl]propanamide
SMILESCCC(=O)N/C=C(/CC)C(=O)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-3-11(10-15-13(16)4-2)14(17)12-8-6-5-7-9-12/h5-10H,3-4H2,1-2H3,(H,15,16)/b11-10-
InChIKeyQWFFFMBCTVLRHF-KHPPLWFESA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.69
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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Related Compounds

N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide
CID 121009504
2-hydroxy-1-phenylpent-2-en-1-one
CID 154192343
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(E)-1,2-diphenylpent-2-en-1-one
CID 14568344
2-methylidene-1-phenylbutan-1-one
CID 11788458
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-benzoylbut-1-enyl]propanamide?
The IUPAC name of N-[(Z)-2-benzoylbut-1-enyl]propanamide (CID 134891678) is N-[(Z)-2-benzoylbut-1-enyl]propanamide.
What is the SMILES notation for N-[(Z)-2-benzoylbut-1-enyl]propanamide?
The canonical SMILES for N-[(Z)-2-benzoylbut-1-enyl]propanamide is CCC(=O)N/C=C(/CC)C(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-2-benzoylbut-1-enyl]propanamide?
The InChIKey is QWFFFMBCTVLRHF-KHPPLWFESA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-11(10-15-13(16)4-2)14(17)12-8-6-5-7-9-12/h5-10H,3-4H2,1-2H3,(H,15,16)/b11-10-.
What are the key properties of N-[(Z)-2-benzoylbut-1-enyl]propanamide?
N-[(Z)-2-benzoylbut-1-enyl]propanamide has a molecular weight of 231.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-benzoylbut-1-enyl]propanamide is sourced from PubChem (CID 134891678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).