3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one

C7H10N2O2 — CID 163910411

IUPAC3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1NC2=NCCCC2C1O
InChIInChI=1S/C7H10N2O2/c10-5-4-2-1-3-8-6(4)9-7(5)11/h4-5,10H,1-3H2,(H,8,9,11)
InChIKeyQROWOJYTVFSILL-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.71
Rot. Bonds

About 3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one

3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 163910411) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one
PubChem CID163910411
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1NC2=NCCCC2C1O
InChIInChI=1S/C7H10N2O2/c10-5-4-2-1-3-8-6(4)9-7(5)11/h4-5,10H,1-3H2,(H,8,9,11)
InChIKeyQROWOJYTVFSILL-UHFFFAOYSA-N
XLogP-0.71
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione
CID 126575623
2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine
CID 88839526
3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;dihydrate;hydrochloride
CID 141446961
6-bromo-2-(5-bromo-2-hydroxycyclohexyl)-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one
CID 140559244
4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137229679
N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438443
(5R)-5-hydroxy-2,3,4,5-tetrahydropyridine-6-carboxylic acid
CID 86326879
(2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one
CID 11830360
3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one
CID 78166552
6-azabicyclo[3.2.0]heptan-7-one
CID 549320
(1R,4R,9R,12R,17R,20R)-2,10,18-triazatetracyclo[18.4.0.04,9.012,17]tetracosane-3,11,19-trione
CID 11646502
4b,5,6,7,8,8a-hexahydrobiphenylene-1,4-dione
CID 12616638

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one (CID 163910411) is 3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one is O=C1NC2=NCCCC2C1O.
What is the InChIKey of 3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is QROWOJYTVFSILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c10-5-4-2-1-3-8-6(4)9-7(5)11/h4-5,10H,1-3H2,(H,8,9,11).
What are the key properties of 3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one?
3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 154.17 g/mol, XLogP of -0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 163910411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).