3,3-dimethyl-1-(2-methylpropyl)-4H-pyridin-2-one

C11H19NO — CID 122484625

IUPAC3,3-dimethyl-1-(2-methylpropyl)-4H-pyridin-2-one
SMILESCC(C)CN1C=CCC(C)(C)C1=O
InChIInChI=1S/C11H19NO/c1-9(2)8-12-7-5-6-11(3,4)10(12)13/h5,7,9H,6,8H2,1-4H3
InChIKeyVHSRZNJHCYENSW-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.41
Rot. Bonds2

About 3,3-dimethyl-1-(2-methylpropyl)-4H-pyridin-2-one

3,3-dimethyl-1-(2-methylpropyl)-4H-pyridin-2-one (PubChem CID 122484625) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylpropyl)-4H-pyridin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylpropyl)-4H-pyridin-2-one
PubChem CID122484625
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3,3-dimethyl-1-(2-methylpropyl)-4H-pyridin-2-one
SMILESCC(C)CN1C=CCC(C)(C)C1=O
InChIInChI=1S/C11H19NO/c1-9(2)8-12-7-5-6-11(3,4)10(12)13/h5,7,9H,6,8H2,1-4H3
InChIKeyVHSRZNJHCYENSW-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylpropyl)-4H-pyridin-2-one?
The IUPAC name of 3,3-dimethyl-1-(2-methylpropyl)-4H-pyridin-2-one (CID 122484625) is 3,3-dimethyl-1-(2-methylpropyl)-4H-pyridin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylpropyl)-4H-pyridin-2-one?
The canonical SMILES for 3,3-dimethyl-1-(2-methylpropyl)-4H-pyridin-2-one is CC(C)CN1C=CCC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(2-methylpropyl)-4H-pyridin-2-one?
The InChIKey is VHSRZNJHCYENSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)8-12-7-5-6-11(3,4)10(12)13/h5,7,9H,6,8H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(2-methylpropyl)-4H-pyridin-2-one?
3,3-dimethyl-1-(2-methylpropyl)-4H-pyridin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methylpropyl)-4H-pyridin-2-one is sourced from PubChem (CID 122484625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).