(5R)-3-chloro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride

C10H14Cl2N2O — CID 171808220

IUPAC(5R)-3-chloro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
SMILESCc1c2c(n(C)c(=O)c1Cl)CN[C@@H]2C.Cl
InChIInChI=1S/C10H13ClN2O.ClH/c1-5-8-6(2)12-4-7(8)13(3)10(14)9(5)11;/h6,12H,4H2,1-3H3;1H/t6-;/m1./s1
InChIKeyARCXZZQAPZKTQK-FYZOBXCZSA-N
MW249.14 g/mol
LogP1.93
Rot. Bonds

About (5R)-3-chloro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride

(5R)-3-chloro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride (PubChem CID 171808220) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is (5R)-3-chloro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name(5R)-3-chloro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
PubChem CID171808220
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name(5R)-3-chloro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
SMILESCc1c2c(n(C)c(=O)c1Cl)CN[C@@H]2C.Cl
InChIInChI=1S/C10H13ClN2O.ClH/c1-5-8-6(2)12-4-7(8)13(3)10(14)9(5)11;/h6,12H,4H2,1-3H3;1H/t6-;/m1./s1
InChIKeyARCXZZQAPZKTQK-FYZOBXCZSA-N
XLogP1.93
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-chloro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The IUPAC name of (5R)-3-chloro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride (CID 171808220) is (5R)-3-chloro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride.
What is the SMILES notation for (5R)-3-chloro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The canonical SMILES for (5R)-3-chloro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride is Cc1c2c(n(C)c(=O)c1Cl)CN[C@@H]2C.Cl.
What is the InChIKey of (5R)-3-chloro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The InChIKey is ARCXZZQAPZKTQK-FYZOBXCZSA-N. The full InChI is InChI=1S/C10H13ClN2O.ClH/c1-5-8-6(2)12-4-7(8)13(3)10(14)9(5)11;/h6,12H,4H2,1-3H3;1H/t6-;/m1./s1.
What are the key properties of (5R)-3-chloro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
(5R)-3-chloro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride has a molecular weight of 249.14 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-chloro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride is sourced from PubChem (CID 171808220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).