5,6-di(propan-2-yl)-3H-pyridin-2-one

C11H17NO — CID 171046396

IUPAC5,6-di(propan-2-yl)-3H-pyridin-2-one
SMILESCC(C)C1=CCC(=O)N=C1C(C)C
InChIInChI=1S/C11H17NO/c1-7(2)9-5-6-10(13)12-11(9)8(3)4/h5,7-8H,6H2,1-4H3
InChIKeyNLCCGCMBVVNEPC-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.60
Rot. Bonds2

About 5,6-di(propan-2-yl)-3H-pyridin-2-one

5,6-di(propan-2-yl)-3H-pyridin-2-one (PubChem CID 171046396) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 5,6-di(propan-2-yl)-3H-pyridin-2-one.

Molecular Properties

Compound Name5,6-di(propan-2-yl)-3H-pyridin-2-one
PubChem CID171046396
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name5,6-di(propan-2-yl)-3H-pyridin-2-one
SMILESCC(C)C1=CCC(=O)N=C1C(C)C
InChIInChI=1S/C11H17NO/c1-7(2)9-5-6-10(13)12-11(9)8(3)4/h5,7-8H,6H2,1-4H3
InChIKeyNLCCGCMBVVNEPC-UHFFFAOYSA-N
XLogP2.60
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2,2-dimethylpropyl)-3H-pyridin-2-one
CID 56662613
N-acetyl-6-isopropyl-3-methyl-1,4-benzoquinone monoimine
CID 129742224
1,3-dimethyl-6-[(E)-oct-4-en-4-yl]-3H-pyridin-1-ium-2-one
CID 135059075
5,6-ditert-butyl-3H-pyridin-2-one
CID 58233745
6-tert-butyl-5-ethyl-3H-pyridin-2-one
CID 68322586
5-tert-butyl-6-ethyl-3H-pyridin-2-one
CID 68322590
N-[(5Z)-6,10-dimethylundeca-5,9-dien-4-ylidene]-2,2-dimethylpropanamide
CID 89174567
4,5-Di(propan-2-yl)pyrrol-2-one
CID 89447106
6-ethyl-5-methyl-3H-pyridin-2-one
CID 90455642
6-Isopropylpyridin-2(3H)-one
CID 118968929
(6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one
CID 129066203
5-cyclopropyl-6-ethyl-3H-pyridin-2-one
CID 175234055

Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-yl)-3H-pyridin-2-one?
The IUPAC name of 5,6-di(propan-2-yl)-3H-pyridin-2-one (CID 171046396) is 5,6-di(propan-2-yl)-3H-pyridin-2-one.
What is the SMILES notation for 5,6-di(propan-2-yl)-3H-pyridin-2-one?
The canonical SMILES for 5,6-di(propan-2-yl)-3H-pyridin-2-one is CC(C)C1=CCC(=O)N=C1C(C)C.
What is the InChIKey of 5,6-di(propan-2-yl)-3H-pyridin-2-one?
The InChIKey is NLCCGCMBVVNEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7(2)9-5-6-10(13)12-11(9)8(3)4/h5,7-8H,6H2,1-4H3.
What are the key properties of 5,6-di(propan-2-yl)-3H-pyridin-2-one?
5,6-di(propan-2-yl)-3H-pyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-yl)-3H-pyridin-2-one is sourced from PubChem (CID 171046396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).