6-hydroxy-3-isocyano-1-[3-(2-methoxyethoxy)propyl]-4,5-dimethylpyridin-2-one

C14H20N2O4 — CID 20801693

IUPAC6-hydroxy-3-isocyano-1-[3-(2-methoxyethoxy)propyl]-4,5-dimethylpyridin-2-one
SMILES[C-]#[N+]c1c(C)c(C)c(O)n(CCCOCCOC)c1=O
InChIInChI=1S/C14H20N2O4/c1-10-11(2)13(17)16(14(18)12(10)15-3)6-5-7-20-9-8-19-4/h17H,5-9H2,1-2,4H3
InChIKeyUFILZHMREIFAMK-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.77
Rot. Bonds7

About 6-hydroxy-3-isocyano-1-[3-(2-methoxyethoxy)propyl]-4,5-dimethylpyridin-2-one

6-hydroxy-3-isocyano-1-[3-(2-methoxyethoxy)propyl]-4,5-dimethylpyridin-2-one (PubChem CID 20801693) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-hydroxy-3-isocyano-1-[3-(2-methoxyethoxy)propyl]-4,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-3-isocyano-1-[3-(2-methoxyethoxy)propyl]-4,5-dimethylpyridin-2-one
PubChem CID20801693
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name6-hydroxy-3-isocyano-1-[3-(2-methoxyethoxy)propyl]-4,5-dimethylpyridin-2-one
SMILES[C-]#[N+]c1c(C)c(C)c(O)n(CCCOCCOC)c1=O
InChIInChI=1S/C14H20N2O4/c1-10-11(2)13(17)16(14(18)12(10)15-3)6-5-7-20-9-8-19-4/h17H,5-9H2,1-2,4H3
InChIKeyUFILZHMREIFAMK-UHFFFAOYSA-N
XLogP1.77
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-isocyano-1-[3-(2-methoxyethoxy)propyl]-4,5-dimethylpyridin-2-one?
The IUPAC name of 6-hydroxy-3-isocyano-1-[3-(2-methoxyethoxy)propyl]-4,5-dimethylpyridin-2-one (CID 20801693) is 6-hydroxy-3-isocyano-1-[3-(2-methoxyethoxy)propyl]-4,5-dimethylpyridin-2-one.
What is the SMILES notation for 6-hydroxy-3-isocyano-1-[3-(2-methoxyethoxy)propyl]-4,5-dimethylpyridin-2-one?
The canonical SMILES for 6-hydroxy-3-isocyano-1-[3-(2-methoxyethoxy)propyl]-4,5-dimethylpyridin-2-one is [C-]#[N+]c1c(C)c(C)c(O)n(CCCOCCOC)c1=O.
What is the InChIKey of 6-hydroxy-3-isocyano-1-[3-(2-methoxyethoxy)propyl]-4,5-dimethylpyridin-2-one?
The InChIKey is UFILZHMREIFAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-11(2)13(17)16(14(18)12(10)15-3)6-5-7-20-9-8-19-4/h17H,5-9H2,1-2,4H3.
What are the key properties of 6-hydroxy-3-isocyano-1-[3-(2-methoxyethoxy)propyl]-4,5-dimethylpyridin-2-one?
6-hydroxy-3-isocyano-1-[3-(2-methoxyethoxy)propyl]-4,5-dimethylpyridin-2-one has a molecular weight of 280.32 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-isocyano-1-[3-(2-methoxyethoxy)propyl]-4,5-dimethylpyridin-2-one is sourced from PubChem (CID 20801693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).