4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one

C15H20N2O — CID 11680334

IUPAC4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one
SMILESCCCCC(CC(C)=O)n1ccc2cccnc21
InChIInChI=1S/C15H20N2O/c1-3-4-7-14(11-12(2)18)17-10-8-13-6-5-9-16-15(13)17/h5-6,8-10,14H,3-4,7,11H2,1-2H3
InChIKeyVJNJCEIDFLAITK-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.75
Rot. Bonds6

About 4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one

4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one (PubChem CID 11680334) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one.

Molecular Properties

Compound Name4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one
PubChem CID11680334
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one
SMILESCCCCC(CC(C)=O)n1ccc2cccnc21
InChIInChI=1S/C15H20N2O/c1-3-4-7-14(11-12(2)18)17-10-8-13-6-5-9-16-15(13)17/h5-6,8-10,14H,3-4,7,11H2,1-2H3
InChIKeyVJNJCEIDFLAITK-UHFFFAOYSA-N
XLogP3.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one?
The IUPAC name of 4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one (CID 11680334) is 4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one.
What is the SMILES notation for 4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one?
The canonical SMILES for 4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one is CCCCC(CC(C)=O)n1ccc2cccnc21.
What is the InChIKey of 4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one?
The InChIKey is VJNJCEIDFLAITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-4-7-14(11-12(2)18)17-10-8-13-6-5-9-16-15(13)17/h5-6,8-10,14H,3-4,7,11H2,1-2H3.
What are the key properties of 4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one?
4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one has a molecular weight of 244.34 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolo[2,3-b]pyridin-1-yloctan-2-one is sourced from PubChem (CID 11680334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).