1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride

C7H10Cl2N2O — CID 155943618

IUPAC1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride
SMILESCl.Cl.O=c1ccc2c([nH]1)CNC2
InChIInChI=1S/C7H8N2O.2ClH/c10-7-2-1-5-3-8-4-6(5)9-7;;/h1-2,8H,3-4H2,(H,9,10);2*1H
InChIKeyRZKOYBXUFMZXSK-UHFFFAOYSA-N
MW209.08 g/mol
LogP0.82
Rot. Bonds

About 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride

1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride (PubChem CID 155943618) has the molecular formula C7H10Cl2N2O and a molecular weight of 209.08 g/mol. Its IUPAC name is 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride
PubChem CID155943618
Molecular FormulaC7H10Cl2N2O
Molecular Weight209.08 g/mol
Exact Mass208.02
IUPAC Name1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride
SMILESCl.Cl.O=c1ccc2c([nH]1)CNC2
InChIInChI=1S/C7H8N2O.2ClH/c10-7-2-1-5-3-8-4-6(5)9-7;;/h1-2,8H,3-4H2,(H,9,10);2*1H
InChIKeyRZKOYBXUFMZXSK-UHFFFAOYSA-N
XLogP0.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride?
The IUPAC name of 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride (CID 155943618) is 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride.
What is the SMILES notation for 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride?
The canonical SMILES for 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride is Cl.Cl.O=c1ccc2c([nH]1)CNC2.
What is the InChIKey of 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride?
The InChIKey is RZKOYBXUFMZXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.2ClH/c10-7-2-1-5-3-8-4-6(5)9-7;;/h1-2,8H,3-4H2,(H,9,10);2*1H.
What are the key properties of 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride?
1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride has a molecular weight of 209.08 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride is sourced from PubChem (CID 155943618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).