6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C15H14N2O — CID 92974392

IUPAC6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESC[C@@H](c1ccccc1)N1Cc2ncccc2C1=O
InChIInChI=1S/C15H14N2O/c1-11(12-6-3-2-4-7-12)17-10-14-13(15(17)18)8-5-9-16-14/h2-9,11H,10H2,1H3/t11-/m0/s1
InChIKeyBJBYZDRNVIYLJZ-NSHDSACASA-N
MW238.29 g/mol
LogP2.80
Rot. Bonds2

About 6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 92974392) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID92974392
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESC[C@@H](c1ccccc1)N1Cc2ncccc2C1=O
InChIInChI=1S/C15H14N2O/c1-11(12-6-3-2-4-7-12)17-10-14-13(15(17)18)8-5-9-16-14/h2-9,11H,10H2,1H3/t11-/m0/s1
InChIKeyBJBYZDRNVIYLJZ-NSHDSACASA-N
XLogP2.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 92974392) is 6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one is C[C@@H](c1ccccc1)N1Cc2ncccc2C1=O.
What is the InChIKey of 6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is BJBYZDRNVIYLJZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H14N2O/c1-11(12-6-3-2-4-7-12)17-10-14-13(15(17)18)8-5-9-16-14/h2-9,11H,10H2,1H3/t11-/m0/s1.
What are the key properties of 6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 238.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 92974392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).