1,3a,4,4a,5,6,8a,8b-octahydroindeno[1,2-c]pyrrole

C11H15N — CID 69493702

IUPAC1,3a,4,4a,5,6,8a,8b-octahydroindeno[1,2-c]pyrrole
SMILESC1=CC2C(CC1)CC1C=NCC12
InChIInChI=1S/C11H15N/c1-2-4-10-8(3-1)5-9-6-12-7-11(9)10/h2,4,6,8-11H,1,3,5,7H2
InChIKeyGSIIZYFBZPGWJK-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.29
Rot. Bonds

About 1,3a,4,4a,5,6,8a,8b-octahydroindeno[1,2-c]pyrrole

1,3a,4,4a,5,6,8a,8b-octahydroindeno[1,2-c]pyrrole (PubChem CID 69493702) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1,3a,4,4a,5,6,8a,8b-octahydroindeno[1,2-c]pyrrole.

Molecular Properties

Compound Name1,3a,4,4a,5,6,8a,8b-octahydroindeno[1,2-c]pyrrole
PubChem CID69493702
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1,3a,4,4a,5,6,8a,8b-octahydroindeno[1,2-c]pyrrole
SMILESC1=CC2C(CC1)CC1C=NCC12
InChIInChI=1S/C11H15N/c1-2-4-10-8(3-1)5-9-6-12-7-11(9)10/h2,4,6,8-11H,1,3,5,7H2
InChIKeyGSIIZYFBZPGWJK-UHFFFAOYSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,3a,4,4a,5,6,8a,8b-octahydroindeno[1,2-c]pyrrole?
The IUPAC name of 1,3a,4,4a,5,6,8a,8b-octahydroindeno[1,2-c]pyrrole (CID 69493702) is 1,3a,4,4a,5,6,8a,8b-octahydroindeno[1,2-c]pyrrole.
What is the SMILES notation for 1,3a,4,4a,5,6,8a,8b-octahydroindeno[1,2-c]pyrrole?
The canonical SMILES for 1,3a,4,4a,5,6,8a,8b-octahydroindeno[1,2-c]pyrrole is C1=CC2C(CC1)CC1C=NCC12.
What is the InChIKey of 1,3a,4,4a,5,6,8a,8b-octahydroindeno[1,2-c]pyrrole?
The InChIKey is GSIIZYFBZPGWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-4-10-8(3-1)5-9-6-12-7-11(9)10/h2,4,6,8-11H,1,3,5,7H2.
What are the key properties of 1,3a,4,4a,5,6,8a,8b-octahydroindeno[1,2-c]pyrrole?
1,3a,4,4a,5,6,8a,8b-octahydroindeno[1,2-c]pyrrole has a molecular weight of 161.25 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,4,4a,5,6,8a,8b-octahydroindeno[1,2-c]pyrrole is sourced from PubChem (CID 69493702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).