1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one

C8H14N2O — CID 140974394

IUPAC1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one
SMILESCN1CCCC2CNC(=O)C21
InChIInChI=1S/C8H14N2O/c1-10-4-2-3-6-5-9-8(11)7(6)10/h6-7H,2-5H2,1H3,(H,9,11)
InChIKeyQZZJGIZNYTZOSR-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.17
Rot. Bonds

About 1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one

1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one (PubChem CID 140974394) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one
PubChem CID140974394
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one
SMILESCN1CCCC2CNC(=O)C21
InChIInChI=1S/C8H14N2O/c1-10-4-2-3-6-5-9-8(11)7(6)10/h6-7H,2-5H2,1H3,(H,9,11)
InChIKeyQZZJGIZNYTZOSR-UHFFFAOYSA-N
XLogP-0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of 1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one (CID 140974394) is 1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for 1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for 1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one is CN1CCCC2CNC(=O)C21.
What is the InChIKey of 1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one?
The InChIKey is QZZJGIZNYTZOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10-4-2-3-6-5-9-8(11)7(6)10/h6-7H,2-5H2,1H3,(H,9,11).
What are the key properties of 1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one?
1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one has a molecular weight of 154.21 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 140974394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).