3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C13H22N2 — CID 102894757

IUPAC3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESC1=CCN(CC2NCC3CCCC32)CC1
InChIInChI=1S/C13H22N2/c1-2-7-15(8-3-1)10-13-12-6-4-5-11(12)9-14-13/h1-2,11-14H,3-10H2
InChIKeyLAYLQHZFCDASTR-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.64
Rot. Bonds2

About 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 102894757) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID102894757
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESC1=CCN(CC2NCC3CCCC32)CC1
InChIInChI=1S/C13H22N2/c1-2-7-15(8-3-1)10-13-12-6-4-5-11(12)9-14-13/h1-2,11-14H,3-10H2
InChIKeyLAYLQHZFCDASTR-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 102894757) is 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is C1=CCN(CC2NCC3CCCC32)CC1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is LAYLQHZFCDASTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-7-15(8-3-1)10-13-12-6-4-5-11(12)9-14-13/h1-2,11-14H,3-10H2.
What are the key properties of 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 206.33 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 102894757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).