6-(2,2-dimethylpropyl)-3H-pyridin-2-one

C10H15NO — CID 56662613

IUPAC6-(2,2-dimethylpropyl)-3H-pyridin-2-one
SMILESCC(C)(C)CC1=NC(=O)CC=C1
InChIInChI=1S/C10H15NO/c1-10(2,3)7-8-5-4-6-9(12)11-8/h4-5H,6-7H2,1-3H3
InChIKeyNETXSAIVFCLUIO-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.35
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-3H-pyridin-2-one

6-(2,2-dimethylpropyl)-3H-pyridin-2-one (PubChem CID 56662613) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-3H-pyridin-2-one.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-3H-pyridin-2-one
PubChem CID56662613
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name6-(2,2-dimethylpropyl)-3H-pyridin-2-one
SMILESCC(C)(C)CC1=NC(=O)CC=C1
InChIInChI=1S/C10H15NO/c1-10(2,3)7-8-5-4-6-9(12)11-8/h4-5H,6-7H2,1-3H3
InChIKeyNETXSAIVFCLUIO-UHFFFAOYSA-N
XLogP2.35
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-3H-pyridin-2-one?
The IUPAC name of 6-(2,2-dimethylpropyl)-3H-pyridin-2-one (CID 56662613) is 6-(2,2-dimethylpropyl)-3H-pyridin-2-one.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-3H-pyridin-2-one?
The canonical SMILES for 6-(2,2-dimethylpropyl)-3H-pyridin-2-one is CC(C)(C)CC1=NC(=O)CC=C1.
What is the InChIKey of 6-(2,2-dimethylpropyl)-3H-pyridin-2-one?
The InChIKey is NETXSAIVFCLUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2,3)7-8-5-4-6-9(12)11-8/h4-5H,6-7H2,1-3H3.
What are the key properties of 6-(2,2-dimethylpropyl)-3H-pyridin-2-one?
6-(2,2-dimethylpropyl)-3H-pyridin-2-one has a molecular weight of 165.24 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-3H-pyridin-2-one is sourced from PubChem (CID 56662613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).