6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one

C8H8N2O2 — CID 123135540

IUPAC6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
SMILESCOc1cnc2c(c1)NC(=O)C2
InChIInChI=1S/C8H8N2O2/c1-12-5-2-7-6(9-4-5)3-8(11)10-7/h2,4H,3H2,1H3,(H,10,11)
InChIKeyHTDKLDUIDYFMFP-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.58
Rot. Bonds1

About 6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one

6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one (PubChem CID 123135540) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
PubChem CID123135540
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
SMILESCOc1cnc2c(c1)NC(=O)C2
InChIInChI=1S/C8H8N2O2/c1-12-5-2-7-6(9-4-5)3-8(11)10-7/h2,4H,3H2,1H3,(H,10,11)
InChIKeyHTDKLDUIDYFMFP-UHFFFAOYSA-N
XLogP0.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one (CID 123135540) is 6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one is COc1cnc2c(c1)NC(=O)C2.
What is the InChIKey of 6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
The InChIKey is HTDKLDUIDYFMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-12-5-2-7-6(9-4-5)3-8(11)10-7/h2,4H,3H2,1H3,(H,10,11).
What are the key properties of 6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one has a molecular weight of 164.16 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 123135540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).