3-methyl-4-propoxy-1H-pyridin-2-one

C9H13NO2 — CID 66739454

IUPAC3-methyl-4-propoxy-1H-pyridin-2-one
SMILESCCCOc1cc[nH]c(=O)c1C
InChIInChI=1S/C9H13NO2/c1-3-6-12-8-4-5-10-9(11)7(8)2/h4-5H,3,6H2,1-2H3,(H,10,11)
InChIKeyROZOCXIDCCKKMC-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.47
Rot. Bonds3

About 3-methyl-4-propoxy-1H-pyridin-2-one

3-methyl-4-propoxy-1H-pyridin-2-one (PubChem CID 66739454) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-methyl-4-propoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-4-propoxy-1H-pyridin-2-one
PubChem CID66739454
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-methyl-4-propoxy-1H-pyridin-2-one
SMILESCCCOc1cc[nH]c(=O)c1C
InChIInChI=1S/C9H13NO2/c1-3-6-12-8-4-5-10-9(11)7(8)2/h4-5H,3,6H2,1-2H3,(H,10,11)
InChIKeyROZOCXIDCCKKMC-UHFFFAOYSA-N
XLogP1.47
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-pentoxy-1H-pyridin-2-one
CID 66739839
3-pentoxy-1H-pyridin-2-one
CID 67377382
3-dodecoxy-1H-pyridin-2-one
CID 123606468
3-bromo-4-ethoxy-1H-pyridin-2-one
CID 21453478
2-methyl-3-propoxyaniline
CID 23134606
2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane
CID 83958937
3,4-dimethyl-1H-pyridin-2-one;ethane
CID 177021392
1,2,3,4-tetramethyl-5-propoxybenzene
CID 143028127
1,2-dichloro-3-methyl-4-propoxybenzene
CID 156723250
4-[(3-methyl-2,4-dipropoxyphenyl)methylidene]pyrazolidine-3,5-dione
CID 11209346
N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine
CID 162436192
3-methyl-4-propanoyl-1H-pyridin-2-one
CID 10797117

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propoxy-1H-pyridin-2-one?
The IUPAC name of 3-methyl-4-propoxy-1H-pyridin-2-one (CID 66739454) is 3-methyl-4-propoxy-1H-pyridin-2-one.
What is the SMILES notation for 3-methyl-4-propoxy-1H-pyridin-2-one?
The canonical SMILES for 3-methyl-4-propoxy-1H-pyridin-2-one is CCCOc1cc[nH]c(=O)c1C.
What is the InChIKey of 3-methyl-4-propoxy-1H-pyridin-2-one?
The InChIKey is ROZOCXIDCCKKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-6-12-8-4-5-10-9(11)7(8)2/h4-5H,3,6H2,1-2H3,(H,10,11).
What are the key properties of 3-methyl-4-propoxy-1H-pyridin-2-one?
3-methyl-4-propoxy-1H-pyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propoxy-1H-pyridin-2-one is sourced from PubChem (CID 66739454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).