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

C14H24N2O — CID 103195843

IUPAC6-(cyclohexylmethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1C2CCCNC2CN1CC1CCCCC1
InChIInChI=1S/C14H24N2O/c17-14-12-7-4-8-15-13(12)10-16(14)9-11-5-2-1-3-6-11/h11-13,15H,1-10H2
InChIKeyKJONGVKZNAUXDH-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.78
Rot. Bonds2

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

6-(cyclohexylmethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 103195843) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID103195843
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name6-(cyclohexylmethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1C2CCCNC2CN1CC1CCCCC1
InChIInChI=1S/C14H24N2O/c17-14-12-7-4-8-15-13(12)10-16(14)9-11-5-2-1-3-6-11/h11-13,15H,1-10H2
InChIKeyKJONGVKZNAUXDH-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

7-Methyl-octahydropyrrolo(1,2-a)piperazin-6-one
CID 45099425
octahydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 83479078
1-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-methylpropan-1-one
CID 97528501
(4aR,7aS)-6-methyl-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 119031176
rac-(4aR,7aS)-6-methyl-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 122163742
rac-(4aR,7aS)-octahydro-1H-pyrrolo(3,4-b)pyridin-5-one hydrochloride
CID 138040354
4-(2-Methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one
CID 71918606
(4aR,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 91654543
1-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-methylpropan-1-one;hydrochloride
CID 127021229
(3S,8aR)-3-cyclohexylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 129622279
(3S,7R,8aS)-3-(cyclohexylmethyl)-7-(dimethylamino)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 131923858
(8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 138645938

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-(cyclohexylmethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one (CID 103195843) is 6-(cyclohexylmethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-(cyclohexylmethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-(cyclohexylmethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one is O=C1C2CCCNC2CN1CC1CCCCC1.
What is the InChIKey of 6-(cyclohexylmethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is KJONGVKZNAUXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c17-14-12-7-4-8-15-13(12)10-16(14)9-11-5-2-1-3-6-11/h11-13,15H,1-10H2.
What are the key properties of 6-(cyclohexylmethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one?
6-(cyclohexylmethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 236.36 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 103195843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).