2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-5-hydroxypyridin-4-one

C16H24N2O2 — CID 82217966

IUPAC2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-5-hydroxypyridin-4-one
SMILESC=CCN(CC=C)Cc1cc(=O)c(O)cn1C(C)CC
InChIInChI=1S/C16H24N2O2/c1-5-8-17(9-6-2)11-14-10-15(19)16(20)12-18(14)13(4)7-3/h5-6,10,12-13,20H,1-2,7-9,11H2,3-4H3
InChIKeyDZADCEWGXCJOQG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.70
Rot. Bonds8

About 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-5-hydroxypyridin-4-one

2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-5-hydroxypyridin-4-one (PubChem CID 82217966) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-5-hydroxypyridin-4-one
PubChem CID82217966
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-5-hydroxypyridin-4-one
SMILESC=CCN(CC=C)Cc1cc(=O)c(O)cn1C(C)CC
InChIInChI=1S/C16H24N2O2/c1-5-8-17(9-6-2)11-14-10-15(19)16(20)12-18(14)13(4)7-3/h5-6,10,12-13,20H,1-2,7-9,11H2,3-4H3
InChIKeyDZADCEWGXCJOQG-UHFFFAOYSA-N
XLogP2.70
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CP 94
CID 86322
3-Hydroxy-2-methyl-1-propyl-4(1H)-pyridone
CID 121732
1-Allyl-2-methyl-3-hydroxypyrid-4-one
CID 3012091
3-Hydroxy-2-methyl-1-(propan-2-yl)-1,4-dihydropyridin-4-one
CID 10130140
5-Hydroxy-2-methyl-1-propan-2-ylpyridin-4-one
CID 130408003
7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 155518634
2-Ethyl-3-hydroxy-1-propyl-4-pyridinone
CID 86321
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(2-propenyl)-
CID 3079582
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(1-methyle
CID 14956304
4(1H)-Pyridinone, 1-butyl-2-ethyl-3-hydroxy-
CID 14956305
1-[2-(Diethylamino)ethyl]-3-hydroxy-2-methylpyridin-4(1H)-one
CID 21782546
1-[2-(Dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one
CID 24881316

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-5-hydroxypyridin-4-one?
The IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-5-hydroxypyridin-4-one (CID 82217966) is 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-5-hydroxypyridin-4-one.
What is the SMILES notation for 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-5-hydroxypyridin-4-one?
The canonical SMILES for 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-5-hydroxypyridin-4-one is C=CCN(CC=C)Cc1cc(=O)c(O)cn1C(C)CC.
What is the InChIKey of 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-5-hydroxypyridin-4-one?
The InChIKey is DZADCEWGXCJOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-8-17(9-6-2)11-14-10-15(19)16(20)12-18(14)13(4)7-3/h5-6,10,12-13,20H,1-2,7-9,11H2,3-4H3.
What are the key properties of 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-5-hydroxypyridin-4-one?
2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-5-hydroxypyridin-4-one has a molecular weight of 276.38 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-5-hydroxypyridin-4-one is sourced from PubChem (CID 82217966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).