6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one

C12H17NO — CID 142863539

IUPAC6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one
SMILESC=C/C=C\C1=C(C)C(=O)CC(C)N1C
InChIInChI=1S/C12H17NO/c1-5-6-7-11-10(3)12(14)8-9(2)13(11)4/h5-7,9H,1,8H2,2-4H3/b7-6-
InChIKeyYHZMUBYATIHDJE-SREVYHEPSA-N
MW191.27 g/mol
LogP2.30
Rot. Bonds2

About 6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one

6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one (PubChem CID 142863539) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one
PubChem CID142863539
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one
SMILESC=C/C=C\C1=C(C)C(=O)CC(C)N1C
InChIInChI=1S/C12H17NO/c1-5-6-7-11-10(3)12(14)8-9(2)13(11)4/h5-7,9H,1,8H2,2-4H3/b7-6-
InChIKeyYHZMUBYATIHDJE-SREVYHEPSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one?
The IUPAC name of 6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one (CID 142863539) is 6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one is C=C/C=C\C1=C(C)C(=O)CC(C)N1C.
What is the InChIKey of 6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one?
The InChIKey is YHZMUBYATIHDJE-SREVYHEPSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-6-7-11-10(3)12(14)8-9(2)13(11)4/h5-7,9H,1,8H2,2-4H3/b7-6-.
What are the key properties of 6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one?
6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one has a molecular weight of 191.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 142863539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).