6-(2,3-dimethylhexan-2-yl)-4-methyl-1H-pyridin-2-one

C14H23NO — CID 18436381

IUPAC6-(2,3-dimethylhexan-2-yl)-4-methyl-1H-pyridin-2-one
SMILESCCCC(C)C(C)(C)c1cc(C)cc(=O)[nH]1
InChIInChI=1S/C14H23NO/c1-6-7-11(3)14(4,5)12-8-10(2)9-13(16)15-12/h8-9,11H,6-7H2,1-5H3,(H,15,16)
InChIKeyVWOBTBJSXJXKDR-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.40
Rot. Bonds4

About 6-(2,3-dimethylhexan-2-yl)-4-methyl-1H-pyridin-2-one

6-(2,3-dimethylhexan-2-yl)-4-methyl-1H-pyridin-2-one (PubChem CID 18436381) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 6-(2,3-dimethylhexan-2-yl)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2,3-dimethylhexan-2-yl)-4-methyl-1H-pyridin-2-one
PubChem CID18436381
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name6-(2,3-dimethylhexan-2-yl)-4-methyl-1H-pyridin-2-one
SMILESCCCC(C)C(C)(C)c1cc(C)cc(=O)[nH]1
InChIInChI=1S/C14H23NO/c1-6-7-11(3)14(4,5)12-8-10(2)9-13(16)15-12/h8-9,11H,6-7H2,1-5H3,(H,15,16)
InChIKeyVWOBTBJSXJXKDR-UHFFFAOYSA-N
XLogP3.40
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylhexan-2-yl)-4-methyl-1H-pyridin-2-one?
The IUPAC name of 6-(2,3-dimethylhexan-2-yl)-4-methyl-1H-pyridin-2-one (CID 18436381) is 6-(2,3-dimethylhexan-2-yl)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-(2,3-dimethylhexan-2-yl)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-(2,3-dimethylhexan-2-yl)-4-methyl-1H-pyridin-2-one is CCCC(C)C(C)(C)c1cc(C)cc(=O)[nH]1.
What is the InChIKey of 6-(2,3-dimethylhexan-2-yl)-4-methyl-1H-pyridin-2-one?
The InChIKey is VWOBTBJSXJXKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-7-11(3)14(4,5)12-8-10(2)9-13(16)15-12/h8-9,11H,6-7H2,1-5H3,(H,15,16).
What are the key properties of 6-(2,3-dimethylhexan-2-yl)-4-methyl-1H-pyridin-2-one?
6-(2,3-dimethylhexan-2-yl)-4-methyl-1H-pyridin-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylhexan-2-yl)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 18436381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).