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

C10H15ClN2O — CID 171808197

IUPAC1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
SMILESCc1c2c(n(C)c(=O)c1C)CNC2.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-6-7(2)10(13)12(3)9-5-11-4-8(6)9;/h11H,4-5H2,1-3H3;1H
InChIKeyLOJKEGSPVMVGGR-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.03
Rot. Bonds

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

1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride (PubChem CID 171808197) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
PubChem CID171808197
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
SMILESCc1c2c(n(C)c(=O)c1C)CNC2.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-6-7(2)10(13)12(3)9-5-11-4-8(6)9;/h11H,4-5H2,1-3H3;1H
InChIKeyLOJKEGSPVMVGGR-UHFFFAOYSA-N
XLogP1.03
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The IUPAC name of 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride (CID 171808197) is 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride.
What is the SMILES notation for 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The canonical SMILES for 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride is Cc1c2c(n(C)c(=O)c1C)CNC2.Cl.
What is the InChIKey of 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The InChIKey is LOJKEGSPVMVGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.ClH/c1-6-7(2)10(13)12(3)9-5-11-4-8(6)9;/h11H,4-5H2,1-3H3;1H.
What are the key properties of 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride is sourced from PubChem (CID 171808197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).