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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Related Compounds

1-(3-prop-2-ynylphenyl)ethanone
CID 45086131
1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide
CID 90729185
1-[3-(cyclobutylmethyl)phenyl]ethanone
CID 115017585
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide
CID 916714
1-(3-acetylphenyl)propan-2-one
CID 12950417
1-[3-(sulfanylmethyl)phenyl]ethanone
CID 56991195
N-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide
CID 142235742
4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148460
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113007816
1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
CID 101265569

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).