6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one

C12H22N2O2 — CID 103195974

IUPAC6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(C)OCCN1CC2NCCCC2C1=O
InChIInChI=1S/C12H22N2O2/c1-9(2)16-7-6-14-8-11-10(12(14)15)4-3-5-13-11/h9-11,13H,3-8H2,1-2H3
InChIKeyWEOGKLNPPIMASN-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds4

About 6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one

6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 103195974) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID103195974
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(C)OCCN1CC2NCCCC2C1=O
InChIInChI=1S/C12H22N2O2/c1-9(2)16-7-6-14-8-11-10(12(14)15)4-3-5-13-11/h9-11,13H,3-8H2,1-2H3
InChIKeyWEOGKLNPPIMASN-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-(4-methoxybutyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195752
N-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide
CID 103195731
1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine
CID 54957761
3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64880984
6-[(3-methoxyphenyl)methyl]-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195894
6-[(4-propan-2-ylmorpholin-2-yl)methyl]-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195689
3-bromo-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 104766118
6-[(2,5-dichlorophenyl)methyl]-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195679
2-[(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)methyl]benzonitrile
CID 103195728
1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 58735421
2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103195676
3-chloro-4-[(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)methyl]benzamide
CID 103195913

Frequently Asked Questions

What is the IUPAC name of 6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one (CID 103195974) is 6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one is CC(C)OCCN1CC2NCCCC2C1=O.
What is the InChIKey of 6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is WEOGKLNPPIMASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)16-7-6-14-8-11-10(12(14)15)4-3-5-13-11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one?
6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 226.32 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 103195974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).