1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone

C18H30N2O — CID 102679060

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone
SMILESO=C(C1CCC2CCCCC2C1)N1CCCC2CNCC21
InChIInChI=1S/C18H30N2O/c21-18(20-9-3-6-16-11-19-12-17(16)20)15-8-7-13-4-1-2-5-14(13)10-15/h13-17,19H,1-12H2
InChIKeyQSDNCBFBSFXQDX-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.80
Rot. Bonds1

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone (PubChem CID 102679060) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone
PubChem CID102679060
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone
SMILESO=C(C1CCC2CCCCC2C1)N1CCCC2CNCC21
InChIInChI=1S/C18H30N2O/c21-18(20-9-3-6-16-11-19-12-17(16)20)15-8-7-13-4-1-2-5-14(13)10-15/h13-17,19H,1-12H2
InChIKeyQSDNCBFBSFXQDX-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone with MolForge

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Related Compounds

2,3,4,4a,5,6,7,7a-Octahydropyrrolo[3,4-b]pyridin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 102679141
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 102679652
1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 102680167
5-(2-Aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 137445669
(3aS,7aR)-3-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1,3,3a,4,5,6,7,7a-octahydroindol-2-one
CID 139811529
6-[4-[(2-aminoethylamino)methyl]cyclohexyl]-2-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 140813006
3-[3-(4-Cyclohexylpiperazin-1-yl)propyl]-1,3,3a,4,5,6,7,7a-octahydroindol-2-one
CID 141897121
3-(3-Piperazin-1-ylpropyl)-1,3,3a,4,5,6,7,7a-octahydroindol-2-one
CID 141897123
3-[2-[4-(Cyclohexylmethyl)piperidin-1-yl]ethyl]-1,3,3a,4,5,6,7,7a-octahydroindol-2-one
CID 141897134
3-[3-[4-(Cyclohexylmethyl)piperidin-1-yl]propyl]-1,3,3a,4,5,6,7,7a-octahydroindol-2-one
CID 141897138
5-(3-Aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 146492011
7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 147666958

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone (CID 102679060) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone is O=C(C1CCC2CCCCC2C1)N1CCCC2CNCC21.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone?
The InChIKey is QSDNCBFBSFXQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c21-18(20-9-3-6-16-11-19-12-17(16)20)15-8-7-13-4-1-2-5-14(13)10-15/h13-17,19H,1-12H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone has a molecular weight of 290.45 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone is sourced from PubChem (CID 102679060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).