2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one

C11H17NO2 — CID 82064616

IUPAC2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCCC(C)C
InChIInChI=1S/C11H17NO2/c1-8(2)5-7-14-11-9(3)12-6-4-10(11)13/h4,6,8H,5,7H2,1-3H3,(H,12,13)
InChIKeyGQRVJQRNUCBPAN-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.11
Rot. Bonds4

About 2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one

2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one (PubChem CID 82064616) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one
PubChem CID82064616
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCCC(C)C
InChIInChI=1S/C11H17NO2/c1-8(2)5-7-14-11-9(3)12-6-4-10(11)13/h4,6,8H,5,7H2,1-3H3,(H,12,13)
InChIKeyGQRVJQRNUCBPAN-UHFFFAOYSA-N
XLogP2.11
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxy-2-methyl-1H-pyridin-4-one
CID 323424
2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 2726304
4(1H)-Pyridinone, 3-(acetyloxy)-2-methyl-
CID 72997
3-(3-methoxypropoxy)-2-methyl-1H-pyridin-4-one
CID 53803421
3-butoxy-2-methyl-1H-pyridin-4-one
CID 66596573
3-Ethoxy-2-methylpyridin-4(1H)-one
CID 67414765
2-(aminomethyl)-5-butoxy-1H-pyridin-4-one
CID 67963609
azane;3-ethoxy-2-methyl-1H-pyridin-4-one
CID 68976230
2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one
CID 87490491
1-(3-Aminopropyl)-3-butoxy-2-methylpyridin-4-one
CID 124190389
2-ethyl-3-methoxy-1H-pyridin-4-one
CID 140970696
3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile
CID 175987537

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one (CID 82064616) is 2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1OCCC(C)C.
What is the InChIKey of 2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one?
The InChIKey is GQRVJQRNUCBPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(2)5-7-14-11-9(3)12-6-4-10(11)13/h4,6,8H,5,7H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one?
2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one has a molecular weight of 195.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylbutoxy)-1H-pyridin-4-one is sourced from PubChem (CID 82064616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).