5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C11H20N2 — CID 66213126

IUPAC5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESC1CCC(N2CC3CNCC3C2)C1
InChIInChI=1S/C11H20N2/c1-2-4-11(3-1)13-7-9-5-12-6-10(9)8-13/h9-12H,1-8H2
InChIKeyCVFHKZGZKSRXDO-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.08
Rot. Bonds1

About 5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66213126) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66213126
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESC1CCC(N2CC3CNCC3C2)C1
InChIInChI=1S/C11H20N2/c1-2-4-11(3-1)13-7-9-5-12-6-10(9)8-13/h9-12H,1-8H2
InChIKeyCVFHKZGZKSRXDO-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclobutyl-octahydropyrrolo[3,4-c]pyrrole
CID 66212345
(3aR,6aS)-2-ethyl-octahydropyrrolo[3,4-c]pyrrole
CID 86311379
5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 163465482
2-Cyclohexyl-octahydropyrrolo[3,4-c]pyrrole
CID 12958538
[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine
CID 135017736
[(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine
CID 135040888
5-(2-fluoroethyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 80694468
5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 81114724
5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114224389
3a-Fluoro-2-(propan-2-yl)-octahydropyrrolo[3,4-c]pyrrole
CID 168025164
2-Cyclopentyl-3a-fluoro-octahydropyrrolo[3,4-c]pyrrole
CID 168025171
2-Cyclohexyl-3a-fluoro-octahydropyrrolo[3,4-c]pyrrole
CID 168025172

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66213126) is 5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is C1CCC(N2CC3CNCC3C2)C1.
What is the InChIKey of 5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is CVFHKZGZKSRXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-4-11(3-1)13-7-9-5-12-6-10(9)8-13/h9-12H,1-8H2.
What are the key properties of 5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 180.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66213126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).