6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one

C15H19NO2 — CID 134267282

IUPAC6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one
SMILESC=C/C=C\c1[nH]c(=O)c(C(C)(C)C)c(O)c1C=C
InChIInChI=1S/C15H19NO2/c1-6-8-9-11-10(7-2)13(17)12(14(18)16-11)15(3,4)5/h6-9H,1-2H2,3-5H3,(H2,16,17,18)/b9-8-
InChIKeyUTRNTLDAWVVAKK-HJWRWDBZSA-N
MW245.32 g/mol
LogP3.22
Rot. Bonds3

About 6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one

6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one (PubChem CID 134267282) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one
PubChem CID134267282
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one
SMILESC=C/C=C\c1[nH]c(=O)c(C(C)(C)C)c(O)c1C=C
InChIInChI=1S/C15H19NO2/c1-6-8-9-11-10(7-2)13(17)12(14(18)16-11)15(3,4)5/h6-9H,1-2H2,3-5H3,(H2,16,17,18)/b9-8-
InChIKeyUTRNTLDAWVVAKK-HJWRWDBZSA-N
XLogP3.22
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole
CID 166734172
3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole
CID 130271448
3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one
CID 170097280
5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane
CID 142256596
2,4,6-tris(ethenyl)benzene-1,3,5-triol
CID 164702069
(4Z,5E)-2-[4-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-methyl-1H-pyrrol-3-yl]-4-(chloromethylidene)-3-ethenyl-1-hydroxy-5-prop-2-enylidenepyrrole
CID 126675003
3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one
CID 171744974
4-[(1Z)-buta-1,3-dienyl]-2,3-bis(ethenyl)-5-methyl-1H-indole
CID 145345751
2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene
CID 131983585
methyl 3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-5-hydroxybenzoate
CID 170047345
buta-1,3-dienylbenzene;2-methylprop-2-enoic acid
CID 160671566
4-[(1Z)-buta-1,3-dienyl]phenol
CID 45082834

Frequently Asked Questions

What is the IUPAC name of 6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one (CID 134267282) is 6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one is C=C/C=C\c1[nH]c(=O)c(C(C)(C)C)c(O)c1C=C.
What is the InChIKey of 6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one?
The InChIKey is UTRNTLDAWVVAKK-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H19NO2/c1-6-8-9-11-10(7-2)13(17)12(14(18)16-11)15(3,4)5/h6-9H,1-2H2,3-5H3,(H2,16,17,18)/b9-8-.
What are the key properties of 6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one?
6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one has a molecular weight of 245.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1Z)-buta-1,3-dienyl]-3-tert-butyl-5-ethenyl-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 134267282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).