(2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one

C11H15NO — CID 135077533

IUPAC(2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one
SMILESC=CC[C@H]1C=CCC(=O)N1CC=C
InChIInChI=1S/C11H15NO/c1-3-6-10-7-5-8-11(13)12(10)9-4-2/h3-5,7,10H,1-2,6,8-9H2/t10-/m0/s1
InChIKeyWGXDILSNBPFJJB-JTQLQIEISA-N
MW177.25 g/mol
LogP1.91
Rot. Bonds4

About (2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one

(2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one (PubChem CID 135077533) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one.

Molecular Properties

Compound Name(2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one
PubChem CID135077533
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one
SMILESC=CC[C@H]1C=CCC(=O)N1CC=C
InChIInChI=1S/C11H15NO/c1-3-6-10-7-5-8-11(13)12(10)9-4-2/h3-5,7,10H,1-2,6,8-9H2/t10-/m0/s1
InChIKeyWGXDILSNBPFJJB-JTQLQIEISA-N
XLogP1.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethanone, 1-(1,2,5,6-tetrahydro-trans-2,6-diallyl-1-pyridyl)-2,2,2-trifluoro-
CID 612643
1-[(2S,6S)-2,6-di(prop-2-en-1-yl)-3,6-dihydropyridin-1(2H)-yl]-2,2,2-trifluoroethanone
CID 17385721
1-Butyryl-1,2,3,6-tetrahydropyridine
CID 579185
1-(3,6-Dihydropyridin-1(2h)-yl)ethanone
CID 279717
1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 3980505
1,6-Dimethyl-5,6-dihydropyridin-2(1h)-one
CID 12662945
1-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-one
CID 130767175
(3E)-N,N-Diethyl-3-pentenamide
CID 5369259
1-(2,5-Dimethyl-2,5-dihydropyrrol-1-yl)ethanone
CID 23566460
1-Methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one
CID 10511022
(8aS)-6,8a-dihydro-3H-indolizin-5-one
CID 10855504
(8aS)-2,3,6,8a-tetrahydro-1H-indolizin-5-one
CID 10866395

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one?
The IUPAC name of (2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one (CID 135077533) is (2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one.
What is the SMILES notation for (2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one?
The canonical SMILES for (2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one is C=CC[C@H]1C=CCC(=O)N1CC=C.
What is the InChIKey of (2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one?
The InChIKey is WGXDILSNBPFJJB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO/c1-3-6-10-7-5-8-11(13)12(10)9-4-2/h3-5,7,10H,1-2,6,8-9H2/t10-/m0/s1.
What are the key properties of (2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one?
(2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one has a molecular weight of 177.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one is sourced from PubChem (CID 135077533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).