5-methyl-6-pentan-2-yl-1H-pyridin-2-one

C11H17NO — CID 89301018

IUPAC5-methyl-6-pentan-2-yl-1H-pyridin-2-one
SMILESCCCC(C)c1[nH]c(=O)ccc1C
InChIInChI=1S/C11H17NO/c1-4-5-8(2)11-9(3)6-7-10(13)12-11/h6-8H,4-5H2,1-3H3,(H,12,13)
InChIKeyCVMSNQKIPMRANG-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.59
Rot. Bonds3

About 5-methyl-6-pentan-2-yl-1H-pyridin-2-one

5-methyl-6-pentan-2-yl-1H-pyridin-2-one (PubChem CID 89301018) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 5-methyl-6-pentan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-methyl-6-pentan-2-yl-1H-pyridin-2-one
PubChem CID89301018
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name5-methyl-6-pentan-2-yl-1H-pyridin-2-one
SMILESCCCC(C)c1[nH]c(=O)ccc1C
InChIInChI=1S/C11H17NO/c1-4-5-8(2)11-9(3)6-7-10(13)12-11/h6-8H,4-5H2,1-3H3,(H,12,13)
InChIKeyCVMSNQKIPMRANG-UHFFFAOYSA-N
XLogP2.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-pentan-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-methyl-6-pentan-2-yl-1H-pyridin-2-one (CID 89301018) is 5-methyl-6-pentan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-methyl-6-pentan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-methyl-6-pentan-2-yl-1H-pyridin-2-one is CCCC(C)c1[nH]c(=O)ccc1C.
What is the InChIKey of 5-methyl-6-pentan-2-yl-1H-pyridin-2-one?
The InChIKey is CVMSNQKIPMRANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-5-8(2)11-9(3)6-7-10(13)12-11/h6-8H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 5-methyl-6-pentan-2-yl-1H-pyridin-2-one?
5-methyl-6-pentan-2-yl-1H-pyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pentan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 89301018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).