3-(4-aminophenyl)pent-4-en-2-one

C11H13NO — CID 70534596

IUPAC3-(4-aminophenyl)pent-4-en-2-one
SMILESC=CC(C(C)=O)c1ccc(N)cc1
InChIInChI=1S/C11H13NO/c1-3-11(8(2)13)9-4-6-10(12)7-5-9/h3-7,11H,1,12H2,2H3
InChIKeyRNWSCWQZGVKZLM-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.13
Rot. Bonds3

About 3-(4-aminophenyl)pent-4-en-2-one

3-(4-aminophenyl)pent-4-en-2-one (PubChem CID 70534596) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(4-aminophenyl)pent-4-en-2-one.

Molecular Properties

Compound Name3-(4-aminophenyl)pent-4-en-2-one
PubChem CID70534596
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-(4-aminophenyl)pent-4-en-2-one
SMILESC=CC(C(C)=O)c1ccc(N)cc1
InChIInChI=1S/C11H13NO/c1-3-11(8(2)13)9-4-6-10(12)7-5-9/h3-7,11H,1,12H2,2H3
InChIKeyRNWSCWQZGVKZLM-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)pent-4-en-2-one?
The IUPAC name of 3-(4-aminophenyl)pent-4-en-2-one (CID 70534596) is 3-(4-aminophenyl)pent-4-en-2-one.
What is the SMILES notation for 3-(4-aminophenyl)pent-4-en-2-one?
The canonical SMILES for 3-(4-aminophenyl)pent-4-en-2-one is C=CC(C(C)=O)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)pent-4-en-2-one?
The InChIKey is RNWSCWQZGVKZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-11(8(2)13)9-4-6-10(12)7-5-9/h3-7,11H,1,12H2,2H3.
What are the key properties of 3-(4-aminophenyl)pent-4-en-2-one?
3-(4-aminophenyl)pent-4-en-2-one has a molecular weight of 175.23 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)pent-4-en-2-one is sourced from PubChem (CID 70534596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).