7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C10H13N3O — CID 15697633

IUPAC7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCCCNC1NC(=O)c2cccnc21
InChIInChI=1S/C10H13N3O/c1-2-5-12-9-8-7(10(14)13-9)4-3-6-11-8/h3-4,6,9,12H,2,5H2,1H3,(H,13,14)
InChIKeyBVZHOEHAJYYUBS-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.82
Rot. Bonds3

About 7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 15697633) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID15697633
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCCCNC1NC(=O)c2cccnc21
InChIInChI=1S/C10H13N3O/c1-2-5-12-9-8-7(10(14)13-9)4-3-6-11-8/h3-4,6,9,12H,2,5H2,1H3,(H,13,14)
InChIKeyBVZHOEHAJYYUBS-UHFFFAOYSA-N
XLogP0.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 15697633) is 7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is CCCNC1NC(=O)c2cccnc21.
What is the InChIKey of 7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is BVZHOEHAJYYUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-5-12-9-8-7(10(14)13-9)4-3-6-11-8/h3-4,6,9,12H,2,5H2,1H3,(H,13,14).
What are the key properties of 7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 191.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 15697633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).