3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one

C10H15NO2 — CID 123307926

IUPAC3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one
SMILESCOCC(C)Cc1ccc[nH]c1=O
InChIInChI=1S/C10H15NO2/c1-8(7-13-2)6-9-4-3-5-11-10(9)12/h3-5,8H,6-7H2,1-2H3,(H,11,12)
InChIKeyTZXULAMVNPOLHU-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.20
Rot. Bonds4

About 3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one

3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one (PubChem CID 123307926) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one
PubChem CID123307926
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one
SMILESCOCC(C)Cc1ccc[nH]c1=O
InChIInChI=1S/C10H15NO2/c1-8(7-13-2)6-9-4-3-5-11-10(9)12/h3-5,8H,6-7H2,1-2H3,(H,11,12)
InChIKeyTZXULAMVNPOLHU-UHFFFAOYSA-N
XLogP1.20
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one (CID 123307926) is 3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one is COCC(C)Cc1ccc[nH]c1=O.
What is the InChIKey of 3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one?
The InChIKey is TZXULAMVNPOLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(7-13-2)6-9-4-3-5-11-10(9)12/h3-5,8H,6-7H2,1-2H3,(H,11,12).
What are the key properties of 3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one?
3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one is sourced from PubChem (CID 123307926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).