1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole

C11H13N — CID 67722793

IUPAC1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole
SMILESC1=CCC2C(=C1)C=C1NCCC12
InChIInChI=1S/C11H13N/c1-2-4-9-8(3-1)7-11-10(9)5-6-12-11/h1-3,7,9-10,12H,4-6H2
InChIKeyVMPKSUIDTLGILV-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.00
Rot. Bonds

About 1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole

1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole (PubChem CID 67722793) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole.

Molecular Properties

Compound Name1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole
PubChem CID67722793
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole
SMILESC1=CCC2C(=C1)C=C1NCCC12
InChIInChI=1S/C11H13N/c1-2-4-9-8(3-1)7-11-10(9)5-6-12-11/h1-3,7,9-10,12H,4-6H2
InChIKeyVMPKSUIDTLGILV-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole?
The IUPAC name of 1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole (CID 67722793) is 1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole.
What is the SMILES notation for 1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole?
The canonical SMILES for 1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole is C1=CCC2C(=C1)C=C1NCCC12.
What is the InChIKey of 1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole?
The InChIKey is VMPKSUIDTLGILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-4-9-8(3-1)7-11-10(9)5-6-12-11/h1-3,7,9-10,12H,4-6H2.
What are the key properties of 1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole?
1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole has a molecular weight of 159.23 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole is sourced from PubChem (CID 67722793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).