1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone

C10H18N2O — CID 58849992

IUPAC1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone
SMILESCC(=O)C1C2CCCNC2CN1C
InChIInChI=1S/C10H18N2O/c1-7(13)10-8-4-3-5-11-9(8)6-12(10)2/h8-11H,3-6H2,1-2H3
InChIKeyYXFHDOJLPSKETM-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.26
Rot. Bonds1

About 1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone

1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone (PubChem CID 58849992) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone
PubChem CID58849992
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone
SMILESCC(=O)C1C2CCCNC2CN1C
InChIInChI=1S/C10H18N2O/c1-7(13)10-8-4-3-5-11-9(8)6-12(10)2/h8-11H,3-6H2,1-2H3
InChIKeyYXFHDOJLPSKETM-UHFFFAOYSA-N
XLogP0.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone with MolForge

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Related Compounds

ethane;1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-5-yl)ethanone
CID 143089401
3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one
CID 142089656
1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone
CID 59215649
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(7-bicyclo[4.1.0]heptanyl)methanone
CID 102679762
7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one
CID 142187825
tert-butyl (1S,6S)-2,7-diazabicyclo[4.2.0]octane-7-carboxylate
CID 97110879
1-(3-methylpiperidin-2-yl)ethanone
CID 54775356
1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone
CID 95735292
methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate
CID 12741296
tert-butyl 1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 68729079
(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine
CID 54339853
ethane;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 144987626

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone?
The IUPAC name of 1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone (CID 58849992) is 1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone is CC(=O)C1C2CCCNC2CN1C.
What is the InChIKey of 1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone?
The InChIKey is YXFHDOJLPSKETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(13)10-8-4-3-5-11-9(8)6-12(10)2/h8-11H,3-6H2,1-2H3.
What are the key properties of 1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone?
1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone has a molecular weight of 182.27 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone is sourced from PubChem (CID 58849992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).