6-methoxy-5-propan-2-yl-1H-pyridin-2-one

C9H13NO2 — CID 23595041

IUPAC6-methoxy-5-propan-2-yl-1H-pyridin-2-one
SMILESCOc1[nH]c(=O)ccc1C(C)C
InChIInChI=1S/C9H13NO2/c1-6(2)7-4-5-8(11)10-9(7)12-3/h4-6H,1-3H3,(H,10,11)
InChIKeySFOVWKOAZLUARQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.51
Rot. Bonds2

About 6-methoxy-5-propan-2-yl-1H-pyridin-2-one

6-methoxy-5-propan-2-yl-1H-pyridin-2-one (PubChem CID 23595041) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-methoxy-5-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methoxy-5-propan-2-yl-1H-pyridin-2-one
PubChem CID23595041
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name6-methoxy-5-propan-2-yl-1H-pyridin-2-one
SMILESCOc1[nH]c(=O)ccc1C(C)C
InChIInChI=1S/C9H13NO2/c1-6(2)7-4-5-8(11)10-9(7)12-3/h4-6H,1-3H3,(H,10,11)
InChIKeySFOVWKOAZLUARQ-UHFFFAOYSA-N
XLogP1.51
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 6-methoxy-5-propan-2-yl-1H-pyridin-2-one (CID 23595041) is 6-methoxy-5-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-methoxy-5-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 6-methoxy-5-propan-2-yl-1H-pyridin-2-one is COc1[nH]c(=O)ccc1C(C)C.
What is the InChIKey of 6-methoxy-5-propan-2-yl-1H-pyridin-2-one?
The InChIKey is SFOVWKOAZLUARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(2)7-4-5-8(11)10-9(7)12-3/h4-6H,1-3H3,(H,10,11).
What are the key properties of 6-methoxy-5-propan-2-yl-1H-pyridin-2-one?
6-methoxy-5-propan-2-yl-1H-pyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 23595041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).