1-(4-amino-3-ethenylphenyl)propan-1-one

C11H13NO — CID 175309037

IUPAC1-(4-amino-3-ethenylphenyl)propan-1-one
SMILESC=Cc1cc(C(=O)CC)ccc1N
InChIInChI=1S/C11H13NO/c1-3-8-7-9(11(13)4-2)5-6-10(8)12/h3,5-7H,1,4,12H2,2H3
InChIKeyFVUBMFKPOGIXHZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.50
Rot. Bonds3

About 1-(4-amino-3-ethenylphenyl)propan-1-one

1-(4-amino-3-ethenylphenyl)propan-1-one (PubChem CID 175309037) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(4-amino-3-ethenylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-ethenylphenyl)propan-1-one
PubChem CID175309037
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(4-amino-3-ethenylphenyl)propan-1-one
SMILESC=Cc1cc(C(=O)CC)ccc1N
InChIInChI=1S/C11H13NO/c1-3-8-7-9(11(13)4-2)5-6-10(8)12/h3,5-7H,1,4,12H2,2H3
InChIKeyFVUBMFKPOGIXHZ-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-ethenylphenyl)ethanone
CID 71501022
4-propanoylphthalaldehyde
CID 118847024
2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline
CID 139572310
1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one
CID 82064223
2-amino-4-propanoylbenzoic acid
CID 119001727
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
1-(4-aminophenyl)propan-1-one
CID 6270
methyl 2-amino-4-propanoylbenzoate
CID 134648502
1-[3-ethenyl-4-(2-iodoacetyl)phenyl]-2-iodoethanone
CID 88552809
4-ethenyl-2,3-diethylaniline
CID 70188085
1-(4-amino-3-fluorophenyl)but-3-en-1-one
CID 116547167
1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione
CID 67570155

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethenylphenyl)propan-1-one?
The IUPAC name of 1-(4-amino-3-ethenylphenyl)propan-1-one (CID 175309037) is 1-(4-amino-3-ethenylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-amino-3-ethenylphenyl)propan-1-one?
The canonical SMILES for 1-(4-amino-3-ethenylphenyl)propan-1-one is C=Cc1cc(C(=O)CC)ccc1N.
What is the InChIKey of 1-(4-amino-3-ethenylphenyl)propan-1-one?
The InChIKey is FVUBMFKPOGIXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-8-7-9(11(13)4-2)5-6-10(8)12/h3,5-7H,1,4,12H2,2H3.
What are the key properties of 1-(4-amino-3-ethenylphenyl)propan-1-one?
1-(4-amino-3-ethenylphenyl)propan-1-one has a molecular weight of 175.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethenylphenyl)propan-1-one is sourced from PubChem (CID 175309037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).