ethane;5-methoxy-1-propan-2-ylpyridin-2-one

C11H19NO2 — CID 143160621

IUPACethane;5-methoxy-1-propan-2-ylpyridin-2-one
SMILESCC.COc1ccc(=O)n(C(C)C)c1
InChIInChI=1S/C9H13NO2.C2H6/c1-7(2)10-6-8(12-3)4-5-9(10)11;1-2/h4-7H,1-3H3;1-2H3
InChIKeyXKMLLBDNVLNIKD-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.46
Rot. Bonds2

About ethane;5-methoxy-1-propan-2-ylpyridin-2-one

ethane;5-methoxy-1-propan-2-ylpyridin-2-one (PubChem CID 143160621) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethane;5-methoxy-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Nameethane;5-methoxy-1-propan-2-ylpyridin-2-one
PubChem CID143160621
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethane;5-methoxy-1-propan-2-ylpyridin-2-one
SMILESCC.COc1ccc(=O)n(C(C)C)c1
InChIInChI=1S/C9H13NO2.C2H6/c1-7(2)10-6-8(12-3)4-5-9(10)11;1-2/h4-7H,1-3H3;1-2H3
InChIKeyXKMLLBDNVLNIKD-UHFFFAOYSA-N
XLogP2.46
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-1-propan-2-ylpyridin-2-one?
The IUPAC name of ethane;5-methoxy-1-propan-2-ylpyridin-2-one (CID 143160621) is ethane;5-methoxy-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for ethane;5-methoxy-1-propan-2-ylpyridin-2-one?
The canonical SMILES for ethane;5-methoxy-1-propan-2-ylpyridin-2-one is CC.COc1ccc(=O)n(C(C)C)c1.
What is the InChIKey of ethane;5-methoxy-1-propan-2-ylpyridin-2-one?
The InChIKey is XKMLLBDNVLNIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.C2H6/c1-7(2)10-6-8(12-3)4-5-9(10)11;1-2/h4-7H,1-3H3;1-2H3.
What are the key properties of ethane;5-methoxy-1-propan-2-ylpyridin-2-one?
ethane;5-methoxy-1-propan-2-ylpyridin-2-one has a molecular weight of 197.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 143160621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).