1-(4-aminophenyl)dec-9-en-3-one

C16H23NO — CID 107010981

IUPAC1-(4-aminophenyl)dec-9-en-3-one
SMILESC=CCCCCCC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C16H23NO/c1-2-3-4-5-6-7-16(18)13-10-14-8-11-15(17)12-9-14/h2,8-9,11-12H,1,3-7,10,13,17H2
InChIKeyALTFABAQPGPXHQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.91
Rot. Bonds9

About 1-(4-aminophenyl)dec-9-en-3-one

1-(4-aminophenyl)dec-9-en-3-one (PubChem CID 107010981) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(4-aminophenyl)dec-9-en-3-one.

Molecular Properties

Compound Name1-(4-aminophenyl)dec-9-en-3-one
PubChem CID107010981
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(4-aminophenyl)dec-9-en-3-one
SMILESC=CCCCCCC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C16H23NO/c1-2-3-4-5-6-7-16(18)13-10-14-8-11-15(17)12-9-14/h2,8-9,11-12H,1,3-7,10,13,17H2
InChIKeyALTFABAQPGPXHQ-UHFFFAOYSA-N
XLogP3.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 89231280
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CID 116605405
1-(4-aminophenyl)-5-methylsulfonylpentan-3-one
CID 116605563
1-(2-aminophenyl)oct-7-en-1-one
CID 107008243
12-aminododec-1-en-6-one
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pentacos-1-en-11-one
CID 21420755
hexadec-15-en-5-one
CID 91482743
tricos-1-en-11-one
CID 146680996
pentadec-14-en-7-one
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1-(4-aminophenyl)hex-5-yn-3-one
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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)dec-9-en-3-one?
The IUPAC name of 1-(4-aminophenyl)dec-9-en-3-one (CID 107010981) is 1-(4-aminophenyl)dec-9-en-3-one.
What is the SMILES notation for 1-(4-aminophenyl)dec-9-en-3-one?
The canonical SMILES for 1-(4-aminophenyl)dec-9-en-3-one is C=CCCCCCC(=O)CCc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)dec-9-en-3-one?
The InChIKey is ALTFABAQPGPXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-3-4-5-6-7-16(18)13-10-14-8-11-15(17)12-9-14/h2,8-9,11-12H,1,3-7,10,13,17H2.
What are the key properties of 1-(4-aminophenyl)dec-9-en-3-one?
1-(4-aminophenyl)dec-9-en-3-one has a molecular weight of 245.37 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)dec-9-en-3-one is sourced from PubChem (CID 107010981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).