ethenol;3-methyl-1H-pyridin-2-one

C8H11NO2 — CID 67909745

IUPACethenol;3-methyl-1H-pyridin-2-one
SMILESC=CO.Cc1ccc[nH]c1=O
InChIInChI=1S/C6H7NO.C2H4O/c1-5-3-2-4-7-6(5)8;1-2-3/h2-4H,1H3,(H,7,8);2-3H,1H2
InChIKeyCXMHNDMCQHKCSQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.37
Rot. Bonds

About ethenol;3-methyl-1H-pyridin-2-one

ethenol;3-methyl-1H-pyridin-2-one (PubChem CID 67909745) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethenol;3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Nameethenol;3-methyl-1H-pyridin-2-one
PubChem CID67909745
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethenol;3-methyl-1H-pyridin-2-one
SMILESC=CO.Cc1ccc[nH]c1=O
InChIInChI=1S/C6H7NO.C2H4O/c1-5-3-2-4-7-6(5)8;1-2-3/h2-4H,1H3,(H,7,8);2-3H,1H2
InChIKeyCXMHNDMCQHKCSQ-UHFFFAOYSA-N
XLogP1.37
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenol;3-methyl-1H-pyridin-2-one?
The IUPAC name of ethenol;3-methyl-1H-pyridin-2-one (CID 67909745) is ethenol;3-methyl-1H-pyridin-2-one.
What is the SMILES notation for ethenol;3-methyl-1H-pyridin-2-one?
The canonical SMILES for ethenol;3-methyl-1H-pyridin-2-one is C=CO.Cc1ccc[nH]c1=O.
What is the InChIKey of ethenol;3-methyl-1H-pyridin-2-one?
The InChIKey is CXMHNDMCQHKCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C2H4O/c1-5-3-2-4-7-6(5)8;1-2-3/h2-4H,1H3,(H,7,8);2-3H,1H2.
What are the key properties of ethenol;3-methyl-1H-pyridin-2-one?
ethenol;3-methyl-1H-pyridin-2-one has a molecular weight of 153.18 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 67909745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).