4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one

C9H15NO2 — CID 142450825

IUPAC4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
SMILESCC1=C(O)CC(C(C)C)NC1=O
InChIInChI=1S/C9H15NO2/c1-5(2)7-4-8(11)6(3)9(12)10-7/h5,7,11H,4H2,1-3H3,(H,10,12)
InChIKeyRKSCNGZVIQGHRO-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.36
Rot. Bonds1

About 4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one

4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 142450825) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
PubChem CID142450825
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
SMILESCC1=C(O)CC(C(C)C)NC1=O
InChIInChI=1S/C9H15NO2/c1-5(2)7-4-8(11)6(3)9(12)10-7/h5,7,11H,4H2,1-3H3,(H,10,12)
InChIKeyRKSCNGZVIQGHRO-UHFFFAOYSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one (CID 142450825) is 4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one is CC1=C(O)CC(C(C)C)NC1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is RKSCNGZVIQGHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-5(2)7-4-8(11)6(3)9(12)10-7/h5,7,11H,4H2,1-3H3,(H,10,12).
What are the key properties of 4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one?
4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 169.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 142450825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).