(E,6S,8S)-8-(dimethylamino)-6-phenylnon-2-en-5-one

C17H25NO — CID 154665907

IUPAC(E,6S,8S)-8-(dimethylamino)-6-phenylnon-2-en-5-one
SMILESC/C=C/CC(=O)[C@@H](C[C@H](C)N(C)C)c1ccccc1
InChIInChI=1S/C17H25NO/c1-5-6-12-17(19)16(13-14(2)18(3)4)15-10-8-7-9-11-15/h5-11,14,16H,12-13H2,1-4H3/b6-5+/t14-,16-/m0/s1
InChIKeyMZJHSULUONBQBE-NCVJHSOJSA-N
MW259.39 g/mol
LogP3.65
Rot. Bonds7

About (E,6S,8S)-8-(dimethylamino)-6-phenylnon-2-en-5-one

(E,6S,8S)-8-(dimethylamino)-6-phenylnon-2-en-5-one (PubChem CID 154665907) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (E,6S,8S)-8-(dimethylamino)-6-phenylnon-2-en-5-one.

Molecular Properties

Compound Name(E,6S,8S)-8-(dimethylamino)-6-phenylnon-2-en-5-one
PubChem CID154665907
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(E,6S,8S)-8-(dimethylamino)-6-phenylnon-2-en-5-one
SMILESC/C=C/CC(=O)[C@@H](C[C@H](C)N(C)C)c1ccccc1
InChIInChI=1S/C17H25NO/c1-5-6-12-17(19)16(13-14(2)18(3)4)15-10-8-7-9-11-15/h5-11,14,16H,12-13H2,1-4H3/b6-5+/t14-,16-/m0/s1
InChIKeyMZJHSULUONBQBE-NCVJHSOJSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)-4-(dimethylamino)-2-phenylpentan-1-one;prop-1-ene
CID 154665958
(Z)-3-phenylhept-5-en-2-one
CID 5363833
2-methyl-4-phenyldecan-5-one
CID 175352694
3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62878150
methyl 2-phenylhex-4-enoate
CID 141185877
N-methoxy-N,4-dimethyl-2-phenylpentanamide
CID 22270428
1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride
CID 172694063
N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide
CID 10977361
[(E)-hept-5-en-2-yl]benzene
CID 22172140
1-amino-2-phenylhexan-3-one
CID 116566947
[[(E)-hex-4-enoyl]oxy-phenylmethyl] 2-methylpentanoate
CID 130218386
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219

Frequently Asked Questions

What is the IUPAC name of (E,6S,8S)-8-(dimethylamino)-6-phenylnon-2-en-5-one?
The IUPAC name of (E,6S,8S)-8-(dimethylamino)-6-phenylnon-2-en-5-one (CID 154665907) is (E,6S,8S)-8-(dimethylamino)-6-phenylnon-2-en-5-one.
What is the SMILES notation for (E,6S,8S)-8-(dimethylamino)-6-phenylnon-2-en-5-one?
The canonical SMILES for (E,6S,8S)-8-(dimethylamino)-6-phenylnon-2-en-5-one is C/C=C/CC(=O)[C@@H](C[C@H](C)N(C)C)c1ccccc1.
What is the InChIKey of (E,6S,8S)-8-(dimethylamino)-6-phenylnon-2-en-5-one?
The InChIKey is MZJHSULUONBQBE-NCVJHSOJSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-6-12-17(19)16(13-14(2)18(3)4)15-10-8-7-9-11-15/h5-11,14,16H,12-13H2,1-4H3/b6-5+/t14-,16-/m0/s1.
What are the key properties of (E,6S,8S)-8-(dimethylamino)-6-phenylnon-2-en-5-one?
(E,6S,8S)-8-(dimethylamino)-6-phenylnon-2-en-5-one has a molecular weight of 259.39 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6S,8S)-8-(dimethylamino)-6-phenylnon-2-en-5-one is sourced from PubChem (CID 154665907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).