4-hydroxy-5,6-dimethoxy-3-[(E,2R)-2-methylhex-4-enoyl]-1H-pyridin-2-one

C14H19NO5 — CID 54697782

IUPAC4-hydroxy-5,6-dimethoxy-3-[(E,2R)-2-methylhex-4-enoyl]-1H-pyridin-2-one
SMILESC/C=C/C[C@@H](C)C(=O)c1c(O)c(OC)c(OC)[nH]c1=O
InChIInChI=1S/C14H19NO5/c1-5-6-7-8(2)10(16)9-11(17)12(19-3)14(20-4)15-13(9)18/h5-6,8H,7H2,1-4H3,(H2,15,17,18)/b6-5+/t8-/m1/s1
InChIKeyFPYAYFJAGDIMEX-HQZHTGGTSA-N
MW281.31 g/mol
LogP1.88
Rot. Bonds6

About 4-hydroxy-5,6-dimethoxy-3-[(E,2R)-2-methylhex-4-enoyl]-1H-pyridin-2-one

4-hydroxy-5,6-dimethoxy-3-[(E,2R)-2-methylhex-4-enoyl]-1H-pyridin-2-one (PubChem CID 54697782) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-hydroxy-5,6-dimethoxy-3-[(E,2R)-2-methylhex-4-enoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-5,6-dimethoxy-3-[(E,2R)-2-methylhex-4-enoyl]-1H-pyridin-2-one
PubChem CID54697782
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name4-hydroxy-5,6-dimethoxy-3-[(E,2R)-2-methylhex-4-enoyl]-1H-pyridin-2-one
SMILESC/C=C/C[C@@H](C)C(=O)c1c(O)c(OC)c(OC)[nH]c1=O
InChIInChI=1S/C14H19NO5/c1-5-6-7-8(2)10(16)9-11(17)12(19-3)14(20-4)15-13(9)18/h5-6,8H,7H2,1-4H3,(H2,15,17,18)/b6-5+/t8-/m1/s1
InChIKeyFPYAYFJAGDIMEX-HQZHTGGTSA-N
XLogP1.88
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,6-dimethoxy-3-[(E,2R)-2-methylhex-4-enoyl]-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-5,6-dimethoxy-3-[(E,2R)-2-methylhex-4-enoyl]-1H-pyridin-2-one (CID 54697782) is 4-hydroxy-5,6-dimethoxy-3-[(E,2R)-2-methylhex-4-enoyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-5,6-dimethoxy-3-[(E,2R)-2-methylhex-4-enoyl]-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-5,6-dimethoxy-3-[(E,2R)-2-methylhex-4-enoyl]-1H-pyridin-2-one is C/C=C/C[C@@H](C)C(=O)c1c(O)c(OC)c(OC)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5,6-dimethoxy-3-[(E,2R)-2-methylhex-4-enoyl]-1H-pyridin-2-one?
The InChIKey is FPYAYFJAGDIMEX-HQZHTGGTSA-N. The full InChI is InChI=1S/C14H19NO5/c1-5-6-7-8(2)10(16)9-11(17)12(19-3)14(20-4)15-13(9)18/h5-6,8H,7H2,1-4H3,(H2,15,17,18)/b6-5+/t8-/m1/s1.
What are the key properties of 4-hydroxy-5,6-dimethoxy-3-[(E,2R)-2-methylhex-4-enoyl]-1H-pyridin-2-one?
4-hydroxy-5,6-dimethoxy-3-[(E,2R)-2-methylhex-4-enoyl]-1H-pyridin-2-one has a molecular weight of 281.31 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,6-dimethoxy-3-[(E,2R)-2-methylhex-4-enoyl]-1H-pyridin-2-one is sourced from PubChem (CID 54697782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).