3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one

C9H10N2O — CID 118357689

IUPAC3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
SMILESCCc1c[nH]c2ccc(=O)[nH]c12
InChIInChI=1S/C9H10N2O/c1-2-6-5-10-7-3-4-8(12)11-9(6)7/h3-5,10H,2H2,1H3,(H,11,12)
InChIKeyFMJBWQWAUNSOCJ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.42
Rot. Bonds1

About 3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one

3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one (PubChem CID 118357689) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
PubChem CID118357689
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
SMILESCCc1c[nH]c2ccc(=O)[nH]c12
InChIInChI=1S/C9H10N2O/c1-2-6-5-10-7-3-4-8(12)11-9(6)7/h3-5,10H,2H2,1H3,(H,11,12)
InChIKeyFMJBWQWAUNSOCJ-UHFFFAOYSA-N
XLogP1.42
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The IUPAC name of 3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one (CID 118357689) is 3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one.
What is the SMILES notation for 3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The canonical SMILES for 3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one is CCc1c[nH]c2ccc(=O)[nH]c12.
What is the InChIKey of 3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The InChIKey is FMJBWQWAUNSOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-6-5-10-7-3-4-8(12)11-9(6)7/h3-5,10H,2H2,1H3,(H,11,12).
What are the key properties of 3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one?
3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one has a molecular weight of 162.19 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one is sourced from PubChem (CID 118357689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).