6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one

C19H25NO — CID 11076941

IUPAC6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one
SMILESCCCC/C=C\C1=CCCC(=O)N1[C@H](C)c1ccccc1
InChIInChI=1S/C19H25NO/c1-3-4-5-9-13-18-14-10-15-19(21)20(18)16(2)17-11-7-6-8-12-17/h6-9,11-14,16H,3-5,10,15H2,1-2H3/b13-9-/t16-/m1/s1
InChIKeyWUFPQFPMXALRQB-RCBBPTIPSA-N
MW283.42 g/mol
LogP5.00
Rot. Bonds6

About 6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one

6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one (PubChem CID 11076941) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one
PubChem CID11076941
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one
SMILESCCCC/C=C\C1=CCCC(=O)N1[C@H](C)c1ccccc1
InChIInChI=1S/C19H25NO/c1-3-4-5-9-13-18-14-10-15-19(21)20(18)16(2)17-11-7-6-8-12-17/h6-9,11-14,16H,3-5,10,15H2,1-2H3/b13-9-/t16-/m1/s1
InChIKeyWUFPQFPMXALRQB-RCBBPTIPSA-N
XLogP5.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[(E)-hex-3-en-3-yl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one
CID 11065955
1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one
CID 11055737
(5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 15373975
(5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione
CID 11414299
dodec-3-en-2-ylbenzene
CID 140717956
3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione
CID 3029673
heptatriaconta-9,28-dien-19-ylbenzene
CID 173349242
octadec-3-en-2-ylbenzene
CID 140717946
6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one
CID 134894496
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
hex-1-enylbenzene;prop-1-ene
CID 157442084
3,7-bis[(1R)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
CID 134961753

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one?
The IUPAC name of 6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one (CID 11076941) is 6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one.
What is the SMILES notation for 6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one?
The canonical SMILES for 6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one is CCCC/C=C\C1=CCCC(=O)N1[C@H](C)c1ccccc1.
What is the InChIKey of 6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one?
The InChIKey is WUFPQFPMXALRQB-RCBBPTIPSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-4-5-9-13-18-14-10-15-19(21)20(18)16(2)17-11-7-6-8-12-17/h6-9,11-14,16H,3-5,10,15H2,1-2H3/b13-9-/t16-/m1/s1.
What are the key properties of 6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one?
6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one has a molecular weight of 283.42 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one is sourced from PubChem (CID 11076941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).