5-amino-1-phenyloct-7-en-4-one

C14H19NO — CID 116606858

IUPAC5-amino-1-phenyloct-7-en-4-one
SMILESC=CCC(N)C(=O)CCCc1ccccc1
InChIInChI=1S/C14H19NO/c1-2-7-13(15)14(16)11-6-10-12-8-4-3-5-9-12/h2-5,8-9,13H,1,6-7,10-11,15H2
InChIKeyHRJHETGHCOEDCL-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.48
Rot. Bonds7

About 5-amino-1-phenyloct-7-en-4-one

5-amino-1-phenyloct-7-en-4-one (PubChem CID 116606858) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-amino-1-phenyloct-7-en-4-one.

Molecular Properties

Compound Name5-amino-1-phenyloct-7-en-4-one
PubChem CID116606858
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-amino-1-phenyloct-7-en-4-one
SMILESC=CCC(N)C(=O)CCCc1ccccc1
InChIInChI=1S/C14H19NO/c1-2-7-13(15)14(16)11-6-10-12-8-4-3-5-9-12/h2-5,8-9,13H,1,6-7,10-11,15H2
InChIKeyHRJHETGHCOEDCL-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-methoxy-7-phenylheptan-4-one
CID 116567219
benzyl (2S)-2-aminopent-4-enoate;hydrochloride
CID 67440277
2-methyl-7-phenylheptan-3-one
CID 13129845
2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one
CID 19381349
2-methyl-9-phenylnonan-3-one
CID 58366233
(2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride
CID 67808775
(2S)-2-amino-N-[(6S,7R,8S)-7,8-dihydroxy-10-methyl-1-phenylundecan-6-yl]pent-4-enamide
CID 10408091
8-amino-1-phenyloctan-4-one
CID 116571907
1,9-diphenylnonan-5-one
CID 23467830
3-amino-1-(4-hydroxyphenyl)hex-5-en-2-one
CID 116607002
[2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate
CID 71612733
(6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride
CID 67808687

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-phenyloct-7-en-4-one?
The IUPAC name of 5-amino-1-phenyloct-7-en-4-one (CID 116606858) is 5-amino-1-phenyloct-7-en-4-one.
What is the SMILES notation for 5-amino-1-phenyloct-7-en-4-one?
The canonical SMILES for 5-amino-1-phenyloct-7-en-4-one is C=CCC(N)C(=O)CCCc1ccccc1.
What is the InChIKey of 5-amino-1-phenyloct-7-en-4-one?
The InChIKey is HRJHETGHCOEDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-7-13(15)14(16)11-6-10-12-8-4-3-5-9-12/h2-5,8-9,13H,1,6-7,10-11,15H2.
What are the key properties of 5-amino-1-phenyloct-7-en-4-one?
5-amino-1-phenyloct-7-en-4-one has a molecular weight of 217.31 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-phenyloct-7-en-4-one is sourced from PubChem (CID 116606858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).