1-(2-aminophenyl)oct-7-en-1-one

C14H19NO — CID 107008243

IUPAC1-(2-aminophenyl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)c1ccccc1N
InChIInChI=1S/C14H19NO/c1-2-3-4-5-6-11-14(16)12-9-7-8-10-13(12)15/h2,7-10H,1,3-6,11,15H2
InChIKeyCWNDOMUBVKRSGK-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.59
Rot. Bonds7

About 1-(2-aminophenyl)oct-7-en-1-one

1-(2-aminophenyl)oct-7-en-1-one (PubChem CID 107008243) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(2-aminophenyl)oct-7-en-1-one.

Molecular Properties

Compound Name1-(2-aminophenyl)oct-7-en-1-one
PubChem CID107008243
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(2-aminophenyl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)c1ccccc1N
InChIInChI=1S/C14H19NO/c1-2-3-4-5-6-11-14(16)12-9-7-8-10-13(12)15/h2,7-10H,1,3-6,11,15H2
InChIKeyCWNDOMUBVKRSGK-UHFFFAOYSA-N
XLogP3.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

1-[2-(2-aminoethyl)phenyl]oct-7-en-1-one
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1-(1-benzothiophen-3-yl)oct-7-en-1-one
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CID 10950068

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)oct-7-en-1-one?
The IUPAC name of 1-(2-aminophenyl)oct-7-en-1-one (CID 107008243) is 1-(2-aminophenyl)oct-7-en-1-one.
What is the SMILES notation for 1-(2-aminophenyl)oct-7-en-1-one?
The canonical SMILES for 1-(2-aminophenyl)oct-7-en-1-one is C=CCCCCCC(=O)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)oct-7-en-1-one?
The InChIKey is CWNDOMUBVKRSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-4-5-6-11-14(16)12-9-7-8-10-13(12)15/h2,7-10H,1,3-6,11,15H2.
What are the key properties of 1-(2-aminophenyl)oct-7-en-1-one?
1-(2-aminophenyl)oct-7-en-1-one has a molecular weight of 217.31 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)oct-7-en-1-one is sourced from PubChem (CID 107008243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).