3-(2-methylprop-2-enoxy)-1H-pyridin-2-one

C9H11NO2 — CID 82056046

IUPAC3-(2-methylprop-2-enoxy)-1H-pyridin-2-one
SMILESC=C(C)COc1ccc[nH]c1=O
InChIInChI=1S/C9H11NO2/c1-7(2)6-12-8-4-3-5-10-9(8)11/h3-5H,1,6H2,2H3,(H,10,11)
InChIKeyDCIXPPOFNMPJMQ-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.33
Rot. Bonds3

About 3-(2-methylprop-2-enoxy)-1H-pyridin-2-one

3-(2-methylprop-2-enoxy)-1H-pyridin-2-one (PubChem CID 82056046) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxy)-1H-pyridin-2-one
PubChem CID82056046
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-(2-methylprop-2-enoxy)-1H-pyridin-2-one
SMILESC=C(C)COc1ccc[nH]c1=O
InChIInChI=1S/C9H11NO2/c1-7(2)6-12-8-4-3-5-10-9(8)11/h3-5H,1,6H2,2H3,(H,10,11)
InChIKeyDCIXPPOFNMPJMQ-UHFFFAOYSA-N
XLogP1.33
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82055987
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
3-pentoxy-1H-pyridin-2-one
CID 67377382
3-dodecoxy-1H-pyridin-2-one
CID 123606468
1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione
CID 11131833
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
3-methoxy-1H-pyridin-2-one;hydrate
CID 90189833
N-(4-ethoxyphenyl)-2-[(2-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82055983
3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one
CID 82056039
1-[2-(2-methylprop-2-enoxy)phenyl]pyrrole-2,5-dione
CID 14204227
3-(4-phenoxybutoxy)-1H-pyridin-2-one
CID 82056040
1-(2-methylprop-2-enoxy)-2-phenylbenzene
CID 70267118

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoxy)-1H-pyridin-2-one?
The IUPAC name of 3-(2-methylprop-2-enoxy)-1H-pyridin-2-one (CID 82056046) is 3-(2-methylprop-2-enoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-methylprop-2-enoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-(2-methylprop-2-enoxy)-1H-pyridin-2-one is C=C(C)COc1ccc[nH]c1=O.
What is the InChIKey of 3-(2-methylprop-2-enoxy)-1H-pyridin-2-one?
The InChIKey is DCIXPPOFNMPJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7(2)6-12-8-4-3-5-10-9(8)11/h3-5H,1,6H2,2H3,(H,10,11).
What are the key properties of 3-(2-methylprop-2-enoxy)-1H-pyridin-2-one?
3-(2-methylprop-2-enoxy)-1H-pyridin-2-one has a molecular weight of 165.19 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxy)-1H-pyridin-2-one is sourced from PubChem (CID 82056046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).