1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride

C11H13ClN2O — CID 167311658

IUPAC1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride
SMILESCl.O=C1Nc2ccccc2C2CNCC12
InChIInChI=1S/C11H12N2O.ClH/c14-11-9-6-12-5-8(9)7-3-1-2-4-10(7)13-11;/h1-4,8-9,12H,5-6H2,(H,13,14);1H
InChIKeyXRJWQIWCYSKJSA-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.36
Rot. Bonds

About 1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride

1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride (PubChem CID 167311658) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride
PubChem CID167311658
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride
SMILESCl.O=C1Nc2ccccc2C2CNCC12
InChIInChI=1S/C11H12N2O.ClH/c14-11-9-6-12-5-8(9)7-3-1-2-4-10(7)13-11;/h1-4,8-9,12H,5-6H2,(H,13,14);1H
InChIKeyXRJWQIWCYSKJSA-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride?
The IUPAC name of 1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride (CID 167311658) is 1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride.
What is the SMILES notation for 1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride?
The canonical SMILES for 1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride is Cl.O=C1Nc2ccccc2C2CNCC12.
What is the InChIKey of 1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride?
The InChIKey is XRJWQIWCYSKJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c14-11-9-6-12-5-8(9)7-3-1-2-4-10(7)13-11;/h1-4,8-9,12H,5-6H2,(H,13,14);1H.
What are the key properties of 1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride?
1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 167311658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).