N-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide

C15H15NO2 — CID 90983172

IUPACN-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide
SMILESCC(=O)c1cccc(CC#CNC(=O)C2CC2)c1
InChIInChI=1S/C15H15NO2/c1-11(17)14-6-2-4-12(10-14)5-3-9-16-15(18)13-7-8-13/h2,4,6,10,13H,5,7-8H2,1H3,(H,16,18)
InChIKeyBFYKFTFHOZCSBJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.92
Rot. Bonds3

About N-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide

N-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide (PubChem CID 90983172) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide
PubChem CID90983172
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC NameN-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide
SMILESCC(=O)c1cccc(CC#CNC(=O)C2CC2)c1
InChIInChI=1S/C15H15NO2/c1-11(17)14-6-2-4-12(10-14)5-3-9-16-15(18)13-7-8-13/h2,4,6,10,13H,5,7-8H2,1H3,(H,16,18)
InChIKeyBFYKFTFHOZCSBJ-UHFFFAOYSA-N
XLogP1.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide (CID 90983172) is N-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide is CC(=O)c1cccc(CC#CNC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide?
The InChIKey is BFYKFTFHOZCSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11(17)14-6-2-4-12(10-14)5-3-9-16-15(18)13-7-8-13/h2,4,6,10,13H,5,7-8H2,1H3,(H,16,18).
What are the key properties of N-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide?
N-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide is sourced from PubChem (CID 90983172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).