2-amino-1-(2-prop-2-enylphenyl)ethanone

C11H13NO — CID 69248800

IUPAC2-amino-1-(2-prop-2-enylphenyl)ethanone
SMILESC=CCc1ccccc1C(=O)CN
InChIInChI=1S/C11H13NO/c1-2-5-9-6-3-4-7-10(9)11(13)8-12/h2-4,6-7H,1,5,8,12H2
InChIKeyZHSZIUOJPWPIFG-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.56
Rot. Bonds4

About 2-amino-1-(2-prop-2-enylphenyl)ethanone

2-amino-1-(2-prop-2-enylphenyl)ethanone (PubChem CID 69248800) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-amino-1-(2-prop-2-enylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-prop-2-enylphenyl)ethanone
PubChem CID69248800
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-amino-1-(2-prop-2-enylphenyl)ethanone
SMILESC=CCc1ccccc1C(=O)CN
InChIInChI=1S/C11H13NO/c1-2-5-9-6-3-4-7-10(9)11(13)8-12/h2-4,6-7H,1,5,8,12H2
InChIKeyZHSZIUOJPWPIFG-UHFFFAOYSA-N
XLogP1.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enylbenzoic acid
CID 2752991
aluminum tris(2-prop-2-enylbenzoate)
CID 70137738
(2-hydroxyphenyl)-(2-prop-2-enylphenyl)methanone
CID 70545684
phenyl-(2-prop-2-enylphenyl)methanone
CID 12026554
methyl 4-oxo-4-(2-prop-2-enylphenyl)butanoate
CID 10331498
(2Z)-2-hydrazinylidene-2-(2-prop-2-enylphenyl)acetic acid
CID 102059389
2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate
CID 19842449
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610
2-(2-prop-2-enylbenzoyl)cyclohexane-1,3-dione
CID 70080157
methyl 2-diazo-5-oxo-5-(2-prop-2-enylphenyl)pentanoate
CID 85086291
2,3-bis(prop-2-enyl)benzoyl chloride
CID 87350245
1-[2,3-bis(prop-2-enyl)phenyl]ethanone
CID 173386054

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-prop-2-enylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-prop-2-enylphenyl)ethanone (CID 69248800) is 2-amino-1-(2-prop-2-enylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-prop-2-enylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-prop-2-enylphenyl)ethanone is C=CCc1ccccc1C(=O)CN.
What is the InChIKey of 2-amino-1-(2-prop-2-enylphenyl)ethanone?
The InChIKey is ZHSZIUOJPWPIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-5-9-6-3-4-7-10(9)11(13)8-12/h2-4,6-7H,1,5,8,12H2.
What are the key properties of 2-amino-1-(2-prop-2-enylphenyl)ethanone?
2-amino-1-(2-prop-2-enylphenyl)ethanone has a molecular weight of 175.23 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-prop-2-enylphenyl)ethanone is sourced from PubChem (CID 69248800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).