1-(4-amino-3-ethenylphenyl)ethanone

C10H11NO — CID 71501022

IUPAC1-(4-amino-3-ethenylphenyl)ethanone
SMILESC=Cc1cc(C(C)=O)ccc1N
InChIInChI=1S/C10H11NO/c1-3-8-6-9(7(2)12)4-5-10(8)11/h3-6H,1,11H2,2H3
InChIKeyZYPNZKLRBIFDEV-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.11
Rot. Bonds2

About 1-(4-amino-3-ethenylphenyl)ethanone

1-(4-amino-3-ethenylphenyl)ethanone (PubChem CID 71501022) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-(4-amino-3-ethenylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-ethenylphenyl)ethanone
PubChem CID71501022
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-(4-amino-3-ethenylphenyl)ethanone
SMILESC=Cc1cc(C(C)=O)ccc1N
InChIInChI=1S/C10H11NO/c1-3-8-6-9(7(2)12)4-5-10(8)11/h3-6H,1,11H2,2H3
InChIKeyZYPNZKLRBIFDEV-UHFFFAOYSA-N
XLogP2.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.11
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)propan-1-one
CID 175309037
1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone
CID 143306088
2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline
CID 139572310
1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone
CID 130130966
1-(4-amino-3-methylsulfanylphenyl)ethanone
CID 116998547
3-(4-acetyl-2-aminophenyl)prop-2-enal
CID 169459463
4-amino-3-ethenylbenzenesulfonic acid
CID 59131566
1-(6-ethenylnaphthalen-2-yl)ethanone
CID 139900374
2,5-diacetylbenzaldehyde
CID 143109306
1-(4-amino-3-pyrrolidin-1-ylphenyl)ethanone
CID 165012746
2-(4-acetyl-2-aminophenyl)acetic acid
CID 23106782
methyl 4-amino-3-[(E)-3-oxobut-1-enyl]benzoate
CID 147050972

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethenylphenyl)ethanone?
The IUPAC name of 1-(4-amino-3-ethenylphenyl)ethanone (CID 71501022) is 1-(4-amino-3-ethenylphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-3-ethenylphenyl)ethanone?
The canonical SMILES for 1-(4-amino-3-ethenylphenyl)ethanone is C=Cc1cc(C(C)=O)ccc1N.
What is the InChIKey of 1-(4-amino-3-ethenylphenyl)ethanone?
The InChIKey is ZYPNZKLRBIFDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-8-6-9(7(2)12)4-5-10(8)11/h3-6H,1,11H2,2H3.
What are the key properties of 1-(4-amino-3-ethenylphenyl)ethanone?
1-(4-amino-3-ethenylphenyl)ethanone has a molecular weight of 161.20 g/mol, XLogP of 2.11, 2 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)ethanone is sourced from PubChem (CID 71501022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).