6-but-2-en-2-yl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one

C15H21N3O — CID 68738322

IUPAC6-but-2-en-2-yl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC=C(C)c1cnc2[nH]c(=O)n(C(CC)CC)c2c1
InChIInChI=1S/C15H21N3O/c1-5-10(4)11-8-13-14(16-9-11)17-15(19)18(13)12(6-2)7-3/h5,8-9,12H,6-7H2,1-4H3,(H,16,17,19)
InChIKeyVWXBKCXEEUETJW-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.51
Rot. Bonds4

About 6-but-2-en-2-yl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one

6-but-2-en-2-yl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 68738322) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-but-2-en-2-yl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-but-2-en-2-yl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID68738322
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-but-2-en-2-yl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC=C(C)c1cnc2[nH]c(=O)n(C(CC)CC)c2c1
InChIInChI=1S/C15H21N3O/c1-5-10(4)11-8-13-14(16-9-11)17-15(19)18(13)12(6-2)7-3/h5,8-9,12H,6-7H2,1-4H3,(H,16,17,19)
InChIKeyVWXBKCXEEUETJW-UHFFFAOYSA-N
XLogP3.51
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-but-2-en-2-yl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-but-2-en-2-yl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one (CID 68738322) is 6-but-2-en-2-yl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-but-2-en-2-yl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-but-2-en-2-yl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one is CC=C(C)c1cnc2[nH]c(=O)n(C(CC)CC)c2c1.
What is the InChIKey of 6-but-2-en-2-yl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is VWXBKCXEEUETJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-10(4)11-8-13-14(16-9-11)17-15(19)18(13)12(6-2)7-3/h5,8-9,12H,6-7H2,1-4H3,(H,16,17,19).
What are the key properties of 6-but-2-en-2-yl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one?
6-but-2-en-2-yl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 259.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-en-2-yl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 68738322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).