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

C7H9ClN2O — CID 122164511

IUPAC1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;hydrochloride
SMILESCl.O=c1ccc2c([nH]1)CNC2
InChIInChI=1S/C7H8N2O.ClH/c10-7-2-1-5-3-8-4-6(5)9-7;/h1-2,8H,3-4H2,(H,9,10);1H
InChIKeyAKCPHRILEDZTMH-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.40
Rot. Bonds

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

1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;hydrochloride (PubChem CID 122164511) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;hydrochloride
PubChem CID122164511
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;hydrochloride
SMILESCl.O=c1ccc2c([nH]1)CNC2
InChIInChI=1S/C7H8N2O.ClH/c10-7-2-1-5-3-8-4-6(5)9-7;/h1-2,8H,3-4H2,(H,9,10);1H
InChIKeyAKCPHRILEDZTMH-UHFFFAOYSA-N
XLogP0.40
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,5,6,7,8-Hexahydro-1,6-naphthyridin-2-one hydrochloride
CID 66523912
5,6,7,8-Tetrahydro-1,6-naphthyridin-2(1H)-one
CID 21071189
5H,6H,7H-pyrrolo[3,4-b]pyridin-2-ol
CID 56956224
6-(2-fluoroacetyl)-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 153553354
2-(Aminomethyl)-3-(difluoromethyl)-6-hydroxypyridine
CID 118814126
5-(Aminomethyl)-6-methylpyridin-2(1H)-one
CID 45079792
6-(Aminomethyl)-5-methyl-1,2-dihydropyridin-2-one
CID 67876131
3-Amino-1,7a-dihydroindol-2-one
CID 69177347
5,6,7,8-Tetrahydro-1,7-naphthyridin-2(1H)-one
CID 69600868
1,5,6,7,8,9-Hexahydropyrido[2,3-c]azepin-2-one
CID 83668111
2,3-Dihydro-1H-pyrrolo[3,2-b]pyridin-5(4H)-one
CID 84648273
1-(1,2,5,7-Tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone
CID 118929024

Frequently Asked Questions

What is the IUPAC name of 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The IUPAC name of 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;hydrochloride (CID 122164511) is 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;hydrochloride.
What is the SMILES notation for 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The canonical SMILES for 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;hydrochloride is Cl.O=c1ccc2c([nH]1)CNC2.
What is the InChIKey of 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The InChIKey is AKCPHRILEDZTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.ClH/c10-7-2-1-5-3-8-4-6(5)9-7;/h1-2,8H,3-4H2,(H,9,10);1H.
What are the key properties of 1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;hydrochloride?
1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;hydrochloride has a molecular weight of 172.62 g/mol, XLogP of 0.40, 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;hydrochloride is sourced from PubChem (CID 122164511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).