1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one

C12H15NO — CID 169463829

IUPAC1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C=CCN)cc1
InChIInChI=1S/C12H15NO/c1-10(14)9-12-6-4-11(5-7-12)3-2-8-13/h2-7H,8-9,13H2,1H3
InChIKeyXRMXUWBTPAANCX-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.79
Rot. Bonds4

About 1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one

1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one (PubChem CID 169463829) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one
PubChem CID169463829
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C=CCN)cc1
InChIInChI=1S/C12H15NO/c1-10(14)9-12-6-4-11(5-7-12)3-2-8-13/h2-7H,8-9,13H2,1H3
InChIKeyXRMXUWBTPAANCX-UHFFFAOYSA-N
XLogP1.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-[4-(2-oxopropyl)phenyl]but-3-en-2-one
CID 130348603
1-(4-ethenylphenyl)propan-2-one
CID 70398942
(E)-N-methyl-3-[4-(2-oxopropyl)phenyl]prop-2-enamide
CID 70527941
N-methyl-3-[4-(2-oxopropyl)phenyl]prop-2-enamide
CID 70527944
ethyl 2-[4-[(E)-2-[3-[(E)-2-[4-(2-ethoxy-2-oxoethyl)phenyl]ethenyl]-5-[(E)-2-[4-(2-oxopropyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]acetate
CID 135273843
(E)-3-[4-(3-aminoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169464031
5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid
CID 169464455
(E)-3-[4-(2-methylsulfonylethyl)phenyl]prop-2-en-1-amine
CID 115111051
1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one
CID 155748385
2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid
CID 169464007
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate
CID 169464038

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one (CID 169463829) is 1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one is CC(=O)Cc1ccc(C=CCN)cc1.
What is the InChIKey of 1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one?
The InChIKey is XRMXUWBTPAANCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10(14)9-12-6-4-11(5-7-12)3-2-8-13/h2-7H,8-9,13H2,1H3.
What are the key properties of 1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one?
1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one has a molecular weight of 189.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one is sourced from PubChem (CID 169463829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).