2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C13H24N2O — CID 115560366

IUPAC2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCOC1CNC(CN2CC3CCCC3C2)C1
InChIInChI=1S/C13H24N2O/c1-16-13-5-12(14-6-13)9-15-7-10-3-2-4-11(10)8-15/h10-14H,2-9H2,1H3
InChIKeyWRYFYWUIKUNKMB-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.10
Rot. Bonds3

About 2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 115560366) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID115560366
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCOC1CNC(CN2CC3CCCC3C2)C1
InChIInChI=1S/C13H24N2O/c1-16-13-5-12(14-6-13)9-15-7-10-3-2-4-11(10)8-15/h10-14H,2-9H2,1H3
InChIKeyWRYFYWUIKUNKMB-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

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Related Compounds

2-[(4-Methoxypyrrolidin-2-yl)methyl]-2-azabicyclo[2.2.1]heptane
CID 61559479
2-Cyclopentyl-1-[(4-methoxypyrrolidin-2-yl)methyl]pyrrolidine
CID 61879927
1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine
CID 63655740
1-[(4-Methoxypyrrolidin-2-yl)methyl]-2-propan-2-ylpyrrolidine
CID 65713776
1-[(4-Methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine
CID 79181758
4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 82717838
[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyloxolan-3-yl]methanamine
CID 82718763
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine
CID 82837635
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(oxolan-2-yl)ethanamine
CID 82837636
1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 102697094
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 102894324
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 102894343

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 115560366) is 2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is COC1CNC(CN2CC3CCCC3C2)C1.
What is the InChIKey of 2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is WRYFYWUIKUNKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-16-13-5-12(14-6-13)9-15-7-10-3-2-4-11(10)8-15/h10-14H,2-9H2,1H3.
What are the key properties of 2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 224.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 115560366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).