7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one

C10H12N2O2 — CID 164721044

IUPAC7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one
SMILESCC(C)C1=C2NC(=O)C=C(O)C2N=C1
InChIInChI=1S/C10H12N2O2/c1-5(2)6-4-11-10-7(13)3-8(14)12-9(6)10/h3-5,10,13H,1-2H3,(H,12,14)
InChIKeyDNWRWIJMXMAUNJ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.92
Rot. Bonds1

About 7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one

7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one (PubChem CID 164721044) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one
PubChem CID164721044
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one
SMILESCC(C)C1=C2NC(=O)C=C(O)C2N=C1
InChIInChI=1S/C10H12N2O2/c1-5(2)6-4-11-10-7(13)3-8(14)12-9(6)10/h3-5,10,13H,1-2H3,(H,12,14)
InChIKeyDNWRWIJMXMAUNJ-UHFFFAOYSA-N
XLogP0.92
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one (CID 164721044) is 7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one is CC(C)C1=C2NC(=O)C=C(O)C2N=C1.
What is the InChIKey of 7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one?
The InChIKey is DNWRWIJMXMAUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-5(2)6-4-11-10-7(13)3-8(14)12-9(6)10/h3-5,10,13H,1-2H3,(H,12,14).
What are the key properties of 7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one?
7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one has a molecular weight of 192.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-propan-2-yl-4,7a-dihydropyrrolo[3,2-b]pyridin-5-one is sourced from PubChem (CID 164721044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).