1-[2-(3-aminoprop-1-enyl)phenyl]ethanone

C11H13NO — CID 169463496

IUPAC1-[2-(3-aminoprop-1-enyl)phenyl]ethanone
SMILESCC(=O)c1ccccc1C=CCN
InChIInChI=1S/C11H13NO/c1-9(13)11-7-3-2-5-10(11)6-4-8-12/h2-7H,8,12H2,1H3
InChIKeyLUCPVGWAEHKVFD-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.86
Rot. Bonds3

About 1-[2-(3-aminoprop-1-enyl)phenyl]ethanone

1-[2-(3-aminoprop-1-enyl)phenyl]ethanone (PubChem CID 169463496) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-[2-(3-aminoprop-1-enyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3-aminoprop-1-enyl)phenyl]ethanone
PubChem CID169463496
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-[2-(3-aminoprop-1-enyl)phenyl]ethanone
SMILESCC(=O)c1ccccc1C=CCN
InChIInChI=1S/C11H13NO/c1-9(13)11-7-3-2-5-10(11)6-4-8-12/h2-7H,8,12H2,1H3
InChIKeyLUCPVGWAEHKVFD-UHFFFAOYSA-N
XLogP1.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3-aminoprop-1-enyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(E)-dec-1-enyl]phenyl]ethanone
CID 11108026
3-(2-acetylphenyl)prop-2-enoic acid;hydrochloride
CID 174578374
2-but-1-enylbenzoic acid
CID 66860810
2-(3-aminoprop-1-enyl)aniline
CID 67152713
3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid
CID 169464036
3-(2-methylsulfonylphenyl)prop-2-en-1-amine
CID 131406462
1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone
CID 169463817
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
CID 117276201
(E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine
CID 117278212
2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169473456
1-(2-acetylphenyl)ethanone;methane
CID 158210616

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminoprop-1-enyl)phenyl]ethanone?
The IUPAC name of 1-[2-(3-aminoprop-1-enyl)phenyl]ethanone (CID 169463496) is 1-[2-(3-aminoprop-1-enyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(3-aminoprop-1-enyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(3-aminoprop-1-enyl)phenyl]ethanone is CC(=O)c1ccccc1C=CCN.
What is the InChIKey of 1-[2-(3-aminoprop-1-enyl)phenyl]ethanone?
The InChIKey is LUCPVGWAEHKVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9(13)11-7-3-2-5-10(11)6-4-8-12/h2-7H,8,12H2,1H3.
What are the key properties of 1-[2-(3-aminoprop-1-enyl)phenyl]ethanone?
1-[2-(3-aminoprop-1-enyl)phenyl]ethanone has a molecular weight of 175.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminoprop-1-enyl)phenyl]ethanone is sourced from PubChem (CID 169463496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).