ethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one

C22H41NO — CID 159198145

IUPACethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one
SMILESCC.CC(C)c1c(C(C)C)c(C(C)C)n(C(C)C)c(=O)c1C(C)C
InChIInChI=1S/C20H35NO.C2H6/c1-11(2)16-17(12(3)4)19(14(7)8)21(15(9)10)20(22)18(16)13(5)6;1-2/h11-15H,1-10H3;1-2H3
InChIKeyKOXWVKSHPCXISG-UHFFFAOYSA-N
MW335.58 g/mol
LogP6.95
Rot. Bonds5

About ethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one

ethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one (PubChem CID 159198145) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is ethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one.

Molecular Properties

Compound Nameethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one
PubChem CID159198145
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Nameethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one
SMILESCC.CC(C)c1c(C(C)C)c(C(C)C)n(C(C)C)c(=O)c1C(C)C
InChIInChI=1S/C20H35NO.C2H6/c1-11(2)16-17(12(3)4)19(14(7)8)21(15(9)10)20(22)18(16)13(5)6;1-2/h11-15H,1-10H3;1-2H3
InChIKeyKOXWVKSHPCXISG-UHFFFAOYSA-N
XLogP6.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one
CID 58045174
N-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide
CID 58801036
2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one
CID 59139450
1,3,4,6-Tetramethyl-5-propan-2-ylpyridin-2-one
CID 59339044
2,3,4,5,6,7-hexamethyl-5H-cyclopenta[c]pyridin-1-one
CID 68198299
2,3,4,6,7-pentamethyl-5H-cyclopenta[c]pyridin-1-one
CID 68198341
6-Methyl-1,3,4-tri(propan-2-yl)pyridin-2-one
CID 118688831
1,4,5,6-Tetramethyl-3-propan-2-ylpyridin-2-one
CID 146614935
ethane;1,2,3,5,6-penta(propan-2-yl)-4H-azepin-7-one
CID 158647946
1,2,3,5,6-penta(propan-2-yl)-4H-azepin-7-one
CID 158647947
ethane;2-methylpropane;1,2,3,5,6-penta(propan-2-yl)-4H-azepin-7-one
CID 158795896
ethane;1,4,5,6,7-penta(propan-2-yl)-3H-azepin-2-one
CID 159042837

Frequently Asked Questions

What is the IUPAC name of ethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one?
The IUPAC name of ethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one (CID 159198145) is ethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one.
What is the SMILES notation for ethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one?
The canonical SMILES for ethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one is CC.CC(C)c1c(C(C)C)c(C(C)C)n(C(C)C)c(=O)c1C(C)C.
What is the InChIKey of ethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one?
The InChIKey is KOXWVKSHPCXISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO.C2H6/c1-11(2)16-17(12(3)4)19(14(7)8)21(15(9)10)20(22)18(16)13(5)6;1-2/h11-15H,1-10H3;1-2H3.
What are the key properties of ethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one?
ethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one has a molecular weight of 335.58 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one is sourced from PubChem (CID 159198145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).