2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C9H17N — CID 21427660

IUPAC2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCCN1CC2CCCC2C1
InChIInChI=1S/C9H17N/c1-2-10-6-8-4-3-5-9(8)7-10/h8-9H,2-7H2,1H3
InChIKeyGYPZELCJLZCMED-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.74
Rot. Bonds1

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

2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 21427660) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID21427660
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCCN1CC2CCCC2C1
InChIInChI=1S/C9H17N/c1-2-10-6-8-4-3-5-9(8)7-10/h8-9H,2-7H2,1H3
InChIKeyGYPZELCJLZCMED-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 21427660) is 2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CCN1CC2CCCC2C1.
What is the InChIKey of 2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is GYPZELCJLZCMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-10-6-8-4-3-5-9(8)7-10/h8-9H,2-7H2,1H3.
What are the key properties of 2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 139.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 21427660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).