N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide

C14H15NO2 — CID 23455779

IUPACN-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)C2CC2)cc1
InChIInChI=1S/C14H15NO2/c1-10(16)15-13-7-2-11(3-8-13)4-9-14(17)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,15,16)/b9-4+
InChIKeyYBOAYNMYPQKONT-RUDMXATFSA-N
MW229.28 g/mol
LogP2.64
Rot. Bonds4

About N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide

N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide (PubChem CID 23455779) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide
PubChem CID23455779
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)C2CC2)cc1
InChIInChI=1S/C14H15NO2/c1-10(16)15-13-7-2-11(3-8-13)4-9-14(17)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,15,16)/b9-4+
InChIKeyYBOAYNMYPQKONT-RUDMXATFSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.64
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-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931
1-cyclopropyl-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 162468006
N-[4-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]phenyl]acetamide
CID 39878522
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
N-[4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]acetamide
CID 36866079
(4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
CID 35737555
N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide
CID 143732890
4-[(E)-3-(4-acetamidoanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134040656
1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 54338045
N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide
CID 91823894
(E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 18329115
3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one
CID 4000745

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide (CID 23455779) is N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C/C(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide?
The InChIKey is YBOAYNMYPQKONT-RUDMXATFSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10(16)15-13-7-2-11(3-8-13)4-9-14(17)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,15,16)/b9-4+.
What are the key properties of N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide?
N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide has a molecular weight of 229.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide is sourced from PubChem (CID 23455779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).