1-(3-aminophenyl)penta-1,4-dien-3-one

C11H11NO — CID 175255088

IUPAC1-(3-aminophenyl)penta-1,4-dien-3-one
SMILESC=CC(=O)C=Cc1cccc(N)c1
InChIInChI=1S/C11H11NO/c1-2-11(13)7-6-9-4-3-5-10(12)8-9/h2-8H,1,12H2
InChIKeyUZBYZOMNADWXPI-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.04
Rot. Bonds3

About 1-(3-aminophenyl)penta-1,4-dien-3-one

1-(3-aminophenyl)penta-1,4-dien-3-one (PubChem CID 175255088) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(3-aminophenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name1-(3-aminophenyl)penta-1,4-dien-3-one
PubChem CID175255088
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1-(3-aminophenyl)penta-1,4-dien-3-one
SMILESC=CC(=O)C=Cc1cccc(N)c1
InChIInChI=1S/C11H11NO/c1-2-11(13)7-6-9-4-3-5-10(12)8-9/h2-8H,1,12H2
InChIKeyUZBYZOMNADWXPI-UHFFFAOYSA-N
XLogP2.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;methyl (E)-3-(3-aminophenyl)prop-2-enoate
CID 144922211
(E)-3-(3-aminophenyl)-1-(1,3-dihydroisoindol-2-yl)prop-2-en-1-one
CID 115343940
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
(E)-3-(3-aminophenyl)-N,N-diethylprop-2-enamide
CID 39243869
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]acetic acid
CID 115343485
(E)-3-(3-aminophenyl)-1-piperazin-1-ylprop-2-en-1-one
CID 115342869
3-(3-aminophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 3049495
3-ethenylaniline;hydrochloride
CID 70700938
(E)-3-(3-aminophenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one
CID 115342717
1-(4-hydroxyphenyl)penta-1,4-dien-3-one
CID 66749141
(E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide
CID 115343655
2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate
CID 106202755

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)penta-1,4-dien-3-one?
The IUPAC name of 1-(3-aminophenyl)penta-1,4-dien-3-one (CID 175255088) is 1-(3-aminophenyl)penta-1,4-dien-3-one.
What is the SMILES notation for 1-(3-aminophenyl)penta-1,4-dien-3-one?
The canonical SMILES for 1-(3-aminophenyl)penta-1,4-dien-3-one is C=CC(=O)C=Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)penta-1,4-dien-3-one?
The InChIKey is UZBYZOMNADWXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-11(13)7-6-9-4-3-5-10(12)8-9/h2-8H,1,12H2.
What are the key properties of 1-(3-aminophenyl)penta-1,4-dien-3-one?
1-(3-aminophenyl)penta-1,4-dien-3-one has a molecular weight of 173.21 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 175255088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).