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

C20H35NO — CID 159198146

IUPAC1,3,4,5,6-penta(propan-2-yl)pyridin-2-one
SMILESCC(C)c1c(C(C)C)c(C(C)C)n(C(C)C)c(=O)c1C(C)C
InChIInChI=1S/C20H35NO/c1-11(2)16-17(12(3)4)19(14(7)8)21(15(9)10)20(22)18(16)13(5)6/h11-15H,1-10H3
InChIKeyMUFNUUYKYMQZHK-UHFFFAOYSA-N
MW305.51 g/mol
LogP5.92
Rot. Bonds5

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

1,3,4,5,6-penta(propan-2-yl)pyridin-2-one (PubChem CID 159198146) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is 1,3,4,5,6-penta(propan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1,3,4,5,6-penta(propan-2-yl)pyridin-2-one
PubChem CID159198146
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name1,3,4,5,6-penta(propan-2-yl)pyridin-2-one
SMILESCC(C)c1c(C(C)C)c(C(C)C)n(C(C)C)c(=O)c1C(C)C
InChIInChI=1S/C20H35NO/c1-11(2)16-17(12(3)4)19(14(7)8)21(15(9)10)20(22)18(16)13(5)6/h11-15H,1-10H3
InChIKeyMUFNUUYKYMQZHK-UHFFFAOYSA-N
XLogP5.92
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6-penta(propan-2-yl)pyridin-2-one?
The IUPAC name of 1,3,4,5,6-penta(propan-2-yl)pyridin-2-one (CID 159198146) is 1,3,4,5,6-penta(propan-2-yl)pyridin-2-one.
What is the SMILES notation for 1,3,4,5,6-penta(propan-2-yl)pyridin-2-one?
The canonical SMILES for 1,3,4,5,6-penta(propan-2-yl)pyridin-2-one is CC(C)c1c(C(C)C)c(C(C)C)n(C(C)C)c(=O)c1C(C)C.
What is the InChIKey of 1,3,4,5,6-penta(propan-2-yl)pyridin-2-one?
The InChIKey is MUFNUUYKYMQZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO/c1-11(2)16-17(12(3)4)19(14(7)8)21(15(9)10)20(22)18(16)13(5)6/h11-15H,1-10H3.
What are the key properties of 1,3,4,5,6-penta(propan-2-yl)pyridin-2-one?
1,3,4,5,6-penta(propan-2-yl)pyridin-2-one has a molecular weight of 305.51 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6-penta(propan-2-yl)pyridin-2-one is sourced from PubChem (CID 159198146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).