2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride

C7H7ClN2O — CID 141389708

IUPAC2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride
SMILESCl.O=C1NCc2cnccc21
InChIInChI=1S/C7H6N2O.ClH/c10-7-6-1-2-8-3-5(6)4-9-7;/h1-3H,4H2,(H,9,10);1H
InChIKeyIKSKXUQAHFJEPR-UHFFFAOYSA-N
MW170.60 g/mol
LogP0.75
Rot. Bonds

About 2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride

2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride (PubChem CID 141389708) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride.

Molecular Properties

Compound Name2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride
PubChem CID141389708
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride
SMILESCl.O=C1NCc2cnccc21
InChIInChI=1S/C7H6N2O.ClH/c10-7-6-1-2-8-3-5(6)4-9-7;/h1-3H,4H2,(H,9,10);1H
InChIKeyIKSKXUQAHFJEPR-UHFFFAOYSA-N
XLogP0.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one
CID 112714409
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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride?
The IUPAC name of 2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride (CID 141389708) is 2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride.
What is the SMILES notation for 2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride?
The canonical SMILES for 2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride is Cl.O=C1NCc2cnccc21.
What is the InChIKey of 2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride?
The InChIKey is IKSKXUQAHFJEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O.ClH/c10-7-6-1-2-8-3-5(6)4-9-7;/h1-3H,4H2,(H,9,10);1H.
What are the key properties of 2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride?
2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride has a molecular weight of 170.60 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride is sourced from PubChem (CID 141389708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).