2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-1-propylpyridin-4-one

C15H22N2O2 — CID 82218123

IUPAC2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-1-propylpyridin-4-one
SMILESC=CCN(CC=C)Cc1cc(=O)c(O)cn1CCC
InChIInChI=1S/C15H22N2O2/c1-4-7-16(8-5-2)11-13-10-14(18)15(19)12-17(13)9-6-3/h4-5,10,12,19H,1-2,6-9,11H2,3H3
InChIKeyJBCYLHSEJWWHBB-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.14
Rot. Bonds8

About 2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-1-propylpyridin-4-one

2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-1-propylpyridin-4-one (PubChem CID 82218123) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-1-propylpyridin-4-one.

Molecular Properties

Compound Name2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-1-propylpyridin-4-one
PubChem CID82218123
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-1-propylpyridin-4-one
SMILESC=CCN(CC=C)Cc1cc(=O)c(O)cn1CCC
InChIInChI=1S/C15H22N2O2/c1-4-7-16(8-5-2)11-13-10-14(18)15(19)12-17(13)9-6-3/h4-5,10,12,19H,1-2,6-9,11H2,3H3
InChIKeyJBCYLHSEJWWHBB-UHFFFAOYSA-N
XLogP2.14
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.14
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-Ethyl-3-hydroxy-2-methyl-4-pyridinone
CID 94413
1-Allyl-2-methyl-3-hydroxypyrid-4-one
CID 3012091
5-Hydroxy-1,2-Dimethyl-4(1H)-Pyridinone
CID 12280547
3-Hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one
CID 162644991
2-Ethyl-3-hydroxy-1-methyl-4(1H)-pyridinone
CID 86320
1-Butyl-2-methyl-3-hydroxypyridin-4-one
CID 121733
4(1H)-Pyridinone, 3-hydroxy-2-methyl-1-pentyl-
CID 121734
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

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-1-propylpyridin-4-one?
The IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-1-propylpyridin-4-one (CID 82218123) is 2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-1-propylpyridin-4-one.
What is the SMILES notation for 2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-1-propylpyridin-4-one?
The canonical SMILES for 2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-1-propylpyridin-4-one is C=CCN(CC=C)Cc1cc(=O)c(O)cn1CCC.
What is the InChIKey of 2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-1-propylpyridin-4-one?
The InChIKey is JBCYLHSEJWWHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-7-16(8-5-2)11-13-10-14(18)15(19)12-17(13)9-6-3/h4-5,10,12,19H,1-2,6-9,11H2,3H3.
What are the key properties of 2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-1-propylpyridin-4-one?
2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-1-propylpyridin-4-one has a molecular weight of 262.35 g/mol, XLogP of 2.14, 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]-5-hydroxy-1-propylpyridin-4-one is sourced from PubChem (CID 82218123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).