[2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone

C16H13NO — CID 57243975

IUPAC[2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone
SMILESC#CC(N)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H13NO/c1-2-15(17)13-10-6-7-11-14(13)16(18)12-8-4-3-5-9-12/h1,3-11,15H,17H2
InChIKeyWHLBPPHMBLWGTA-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.55
Rot. Bonds3

About [2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone

[2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone (PubChem CID 57243975) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is [2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone
PubChem CID57243975
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name[2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone
SMILESC#CC(N)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H13NO/c1-2-15(17)13-10-6-7-11-14(13)16(18)12-8-4-3-5-9-12/h1,3-11,15H,17H2
InChIKeyWHLBPPHMBLWGTA-UHFFFAOYSA-N
XLogP2.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-benzoylphenyl)butan-2-one
CID 69061840
methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate
CID 171865066
phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone
CID 170818848
(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 23128537
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(2-aminophenyl)-phenylmethanone
CID 158207972
4-(2-benzoylphenyl)-3,4-dihydroxybutanoic acid
CID 171878688
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
[2-(2-hydroxypropan-2-yl)phenyl]-phenylmethanone
CID 15254692
(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
CID 123852812
(2S)-2-(2-benzoylphenyl)-2-(4-fluorophenyl)acetonitrile
CID 97170461
2-benzoylbenzoic acid;hydrofluoride
CID 70485904

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone?
The IUPAC name of [2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone (CID 57243975) is [2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone is C#CC(N)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone?
The InChIKey is WHLBPPHMBLWGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-2-15(17)13-10-6-7-11-14(13)16(18)12-8-4-3-5-9-12/h1,3-11,15H,17H2.
What are the key properties of [2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone?
[2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone has a molecular weight of 235.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone is sourced from PubChem (CID 57243975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).