2-(4-aminophenyl)-1-cyclopropylethanone

C11H13NO — CID 116549622

IUPAC2-(4-aminophenyl)-1-cyclopropylethanone
SMILESNc1ccc(CC(=O)C2CC2)cc1
InChIInChI=1S/C11H13NO/c12-10-5-1-8(2-6-10)7-11(13)9-3-4-9/h1-2,5-6,9H,3-4,7,12H2
InChIKeyCEFJVUWOAZJHOE-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.79
Rot. Bonds3

About 2-(4-aminophenyl)-1-cyclopropylethanone

2-(4-aminophenyl)-1-cyclopropylethanone (PubChem CID 116549622) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-cyclopropylethanone
PubChem CID116549622
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(4-aminophenyl)-1-cyclopropylethanone
SMILESNc1ccc(CC(=O)C2CC2)cc1
InChIInChI=1S/C11H13NO/c12-10-5-1-8(2-6-10)7-11(13)9-3-4-9/h1-2,5-6,9H,3-4,7,12H2
InChIKeyCEFJVUWOAZJHOE-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

p-Aminopropiophenone
CID 6270
p-Aminoacetophenone
CID 7468
3'-Aminoacetophenone
CID 7417
4-Aminobenzophenone
CID 14346
1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione
CID 577464
1-Butanone, 1-(4-aminophenyl)-
CID 15527
4,4'-Diaminobenzophenone
CID 69149
(2E)-1-(4-aminophenyl)-3-phenylprop-2-en-1-one
CID 5354071
2-Propen-1-one, 3-(4-aminophenyl)-1-phenyl-
CID 5876675
1-(4-Aminophenyl)-1-hexanone
CID 37983
1-(4-Aminophenyl)-1-pentanone
CID 161959
(4-Aminophenyl)(4-fluorophenyl)methanone
CID 577826

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-cyclopropylethanone?
The IUPAC name of 2-(4-aminophenyl)-1-cyclopropylethanone (CID 116549622) is 2-(4-aminophenyl)-1-cyclopropylethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-cyclopropylethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-cyclopropylethanone is Nc1ccc(CC(=O)C2CC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-cyclopropylethanone?
The InChIKey is CEFJVUWOAZJHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c12-10-5-1-8(2-6-10)7-11(13)9-3-4-9/h1-2,5-6,9H,3-4,7,12H2.
What are the key properties of 2-(4-aminophenyl)-1-cyclopropylethanone?
2-(4-aminophenyl)-1-cyclopropylethanone has a molecular weight of 175.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-cyclopropylethanone is sourced from PubChem (CID 116549622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).