ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one

C10H14N2O — CID 162520423

IUPACethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCC.CN1Cc2cccnc2C1=O
InChIInChI=1S/C8H8N2O.C2H6/c1-10-5-6-3-2-4-9-7(6)8(10)11;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyACKOUEZVHWTQKB-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.69
Rot. Bonds

About ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one

ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one (PubChem CID 162520423) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Nameethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
PubChem CID162520423
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Nameethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCC.CN1Cc2cccnc2C1=O
InChIInChI=1S/C8H8N2O.C2H6/c1-10-5-6-3-2-4-9-7(6)8(10)11;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyACKOUEZVHWTQKB-UHFFFAOYSA-N
XLogP1.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one (CID 162520423) is ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one is CC.CN1Cc2cccnc2C1=O.
What is the InChIKey of ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one?
The InChIKey is ACKOUEZVHWTQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.C2H6/c1-10-5-6-3-2-4-9-7(6)8(10)11;1-2/h2-4H,5H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one?
ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one has a molecular weight of 178.23 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 162520423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).