6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one

C12H19NO2 — CID 139483345

IUPAC6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one
SMILESCCCC(C)(C)c1ccc(OC)[nH]c1=O
InChIInChI=1S/C12H19NO2/c1-5-8-12(2,3)9-6-7-10(15-4)13-11(9)14/h6-7H,5,8H2,1-4H3,(H,13,14)
InChIKeyDPGPCSUFZWXFJY-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.46
Rot. Bonds4

About 6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one

6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one (PubChem CID 139483345) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one
PubChem CID139483345
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one
SMILESCCCC(C)(C)c1ccc(OC)[nH]c1=O
InChIInChI=1S/C12H19NO2/c1-5-8-12(2,3)9-6-7-10(15-4)13-11(9)14/h6-7H,5,8H2,1-4H3,(H,13,14)
InChIKeyDPGPCSUFZWXFJY-UHFFFAOYSA-N
XLogP2.46
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine
CID 146377223
3-(2-methylhexan-2-yl)-1H-pyridin-2-one
CID 155105380
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
2,6-bis(2-methylpentan-2-yl)phenol
CID 19809768
1-methoxy-2-(2-methylundecan-2-yl)benzene
CID 56625929
2-ethyl-6-(2-methylpentan-2-yl)phenol
CID 154203714
CID 174136543
CID 174136543
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
CID 67612483
CID 67612483
1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene
CID 139609334
bis[2,6-bis(2-methylpentan-2-yl)phenoxy]-fluorophosphane
CID 54553105
3-bromo-6-ethoxy-1H-pyridin-2-one
CID 90306952

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one (CID 139483345) is 6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one is CCCC(C)(C)c1ccc(OC)[nH]c1=O.
What is the InChIKey of 6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one?
The InChIKey is DPGPCSUFZWXFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-5-8-12(2,3)9-6-7-10(15-4)13-11(9)14/h6-7H,5,8H2,1-4H3,(H,13,14).
What are the key properties of 6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one?
6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 139483345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).