1-amino-1-(3-ethenylphenyl)propan-2-one

C11H13NO — CID 55291831

IUPAC1-amino-1-(3-ethenylphenyl)propan-2-one
SMILESC=Cc1cccc(C(N)C(C)=O)c1
InChIInChI=1S/C11H13NO/c1-3-9-5-4-6-10(7-9)11(12)8(2)13/h3-7,11H,1,12H2,2H3
InChIKeySYRGFCJSULJMEJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.92
Rot. Bonds3

About 1-amino-1-(3-ethenylphenyl)propan-2-one

1-amino-1-(3-ethenylphenyl)propan-2-one (PubChem CID 55291831) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-amino-1-(3-ethenylphenyl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(3-ethenylphenyl)propan-2-one
PubChem CID55291831
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-amino-1-(3-ethenylphenyl)propan-2-one
SMILESC=Cc1cccc(C(N)C(C)=O)c1
InChIInChI=1S/C11H13NO/c1-3-9-5-4-6-10(7-9)11(12)8(2)13/h3-7,11H,1,12H2,2H3
InChIKeySYRGFCJSULJMEJ-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol
CID 131152404
acetyloxymethyl 2-(3-ethenylphenyl)propanoate
CID 58973618
1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
3-[(3-ethenylphenyl)-hydroxymethyl]benzamide
CID 118355740
N-[cyano-(3-ethenylphenyl)methyl]acetamide
CID 54286727
1-ethenyl-3-(1-phenylethyl)benzene
CID 14750258
(Z)-3-(3-ethenylphenyl)prop-2-enamide
CID 55267303
1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene
CID 58982919
1-(3-ethenylphenyl)-N-fluoroethanamine
CID 174901284
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
[(3-ethenylphenyl)-dimethylsilyl] acetate
CID 18364074
(3-ethenylphenyl)-pyridin-2-ylmethanamine
CID 121427322

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(3-ethenylphenyl)propan-2-one?
The IUPAC name of 1-amino-1-(3-ethenylphenyl)propan-2-one (CID 55291831) is 1-amino-1-(3-ethenylphenyl)propan-2-one.
What is the SMILES notation for 1-amino-1-(3-ethenylphenyl)propan-2-one?
The canonical SMILES for 1-amino-1-(3-ethenylphenyl)propan-2-one is C=Cc1cccc(C(N)C(C)=O)c1.
What is the InChIKey of 1-amino-1-(3-ethenylphenyl)propan-2-one?
The InChIKey is SYRGFCJSULJMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-9-5-4-6-10(7-9)11(12)8(2)13/h3-7,11H,1,12H2,2H3.
What are the key properties of 1-amino-1-(3-ethenylphenyl)propan-2-one?
1-amino-1-(3-ethenylphenyl)propan-2-one has a molecular weight of 175.23 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 1-amino-1-(3-ethenylphenyl)propan-2-one is sourced from PubChem (CID 55291831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).