1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

C17H24N2O — CID 102677859

IUPAC1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCOc1ccc2c(c1)C(N1CCCC3CNCC31)CC2
InChIInChI=1S/C17H24N2O/c1-20-14-6-4-12-5-7-16(15(12)9-14)19-8-2-3-13-10-18-11-17(13)19/h4,6,9,13,16-18H,2-3,5,7-8,10-11H2,1H3
InChIKeyFFRMJTXGAMIWDL-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.37
Rot. Bonds2

About 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 102677859) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID102677859
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCOc1ccc2c(c1)C(N1CCCC3CNCC31)CC2
InChIInChI=1S/C17H24N2O/c1-20-14-6-4-12-5-7-16(15(12)9-14)19-8-2-3-13-10-18-11-17(13)19/h4,6,9,13,16-18H,2-3,5,7-8,10-11H2,1H3
InChIKeyFFRMJTXGAMIWDL-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine with MolForge

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Related Compounds

1-[1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 115316047
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678082
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,5-dimethylpiperazine
CID 79374347
7-methoxy-2-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248788
7-methoxy-2-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247673
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine
CID 79368569
9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline
CID 23261897
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpiperidine
CID 178102694
1-[(2,5-dimethoxyphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678003
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
[1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine
CID 80504502
(8aR,12aS,13aR)-2-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 57131708

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 102677859) is 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is COc1ccc2c(c1)C(N1CCCC3CNCC31)CC2.
What is the InChIKey of 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is FFRMJTXGAMIWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-20-14-6-4-12-5-7-16(15(12)9-14)19-8-2-3-13-10-18-11-17(13)19/h4,6,9,13,16-18H,2-3,5,7-8,10-11H2,1H3.
What are the key properties of 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 272.39 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 102677859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).