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

C7H10N2O — CID 172711595

IUPAC1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1CC2CCCN=C2N1
InChIInChI=1S/C7H10N2O/c10-6-4-5-2-1-3-8-7(5)9-6/h5H,1-4H2,(H,8,9,10)
InChIKeyFHZHWISMURBBSP-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.31
Rot. Bonds

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

1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 172711595) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one
PubChem CID172711595
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1CC2CCCN=C2N1
InChIInChI=1S/C7H10N2O/c10-6-4-5-2-1-3-8-7(5)9-6/h5H,1-4H2,(H,8,9,10)
InChIKeyFHZHWISMURBBSP-UHFFFAOYSA-N
XLogP0.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one (CID 172711595) is 1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one is O=C1CC2CCCN=C2N1.
What is the InChIKey of 1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is FHZHWISMURBBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c10-6-4-5-2-1-3-8-7(5)9-6/h5H,1-4H2,(H,8,9,10).
What are the key properties of 1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one?
1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 138.17 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 172711595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).