6-(1-hydroxybut-3-en-2-ylamino)-1-methylpyridin-2-one

C10H14N2O2 — CID 130646524

IUPAC6-(1-hydroxybut-3-en-2-ylamino)-1-methylpyridin-2-one
SMILESC=CC(CO)Nc1cccc(=O)n1C
InChIInChI=1S/C10H14N2O2/c1-3-8(7-13)11-9-5-4-6-10(14)12(9)2/h3-6,8,11,13H,1,7H2,2H3
InChIKeyBRGCGONATPFMKH-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.34
Rot. Bonds4

About 6-(1-hydroxybut-3-en-2-ylamino)-1-methylpyridin-2-one

6-(1-hydroxybut-3-en-2-ylamino)-1-methylpyridin-2-one (PubChem CID 130646524) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-(1-hydroxybut-3-en-2-ylamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-(1-hydroxybut-3-en-2-ylamino)-1-methylpyridin-2-one
PubChem CID130646524
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6-(1-hydroxybut-3-en-2-ylamino)-1-methylpyridin-2-one
SMILESC=CC(CO)Nc1cccc(=O)n1C
InChIInChI=1S/C10H14N2O2/c1-3-8(7-13)11-9-5-4-6-10(14)12(9)2/h3-6,8,11,13H,1,7H2,2H3
InChIKeyBRGCGONATPFMKH-UHFFFAOYSA-N
XLogP0.34
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-(1-hydroxybut-3-en-2-ylamino)-1-methylpyridin-2-one?
The IUPAC name of 6-(1-hydroxybut-3-en-2-ylamino)-1-methylpyridin-2-one (CID 130646524) is 6-(1-hydroxybut-3-en-2-ylamino)-1-methylpyridin-2-one.
What is the SMILES notation for 6-(1-hydroxybut-3-en-2-ylamino)-1-methylpyridin-2-one?
The canonical SMILES for 6-(1-hydroxybut-3-en-2-ylamino)-1-methylpyridin-2-one is C=CC(CO)Nc1cccc(=O)n1C.
What is the InChIKey of 6-(1-hydroxybut-3-en-2-ylamino)-1-methylpyridin-2-one?
The InChIKey is BRGCGONATPFMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-8(7-13)11-9-5-4-6-10(14)12(9)2/h3-6,8,11,13H,1,7H2,2H3.
What are the key properties of 6-(1-hydroxybut-3-en-2-ylamino)-1-methylpyridin-2-one?
6-(1-hydroxybut-3-en-2-ylamino)-1-methylpyridin-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxybut-3-en-2-ylamino)-1-methylpyridin-2-one is sourced from PubChem (CID 130646524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).