1,2,3,3a-tetrahydrocyclopenta[b]pyrrole

C7H9N — CID 70099127

IUPAC1,2,3,3a-tetrahydrocyclopenta[b]pyrrole
SMILESC1=CC2CCNC2=C1
InChIInChI=1S/C7H9N/c1-2-6-4-5-8-7(6)3-1/h1-3,6,8H,4-5H2
InChIKeyFHFSSXFOZMZVGN-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.05
Rot. Bonds

About 1,2,3,3a-tetrahydrocyclopenta[b]pyrrole

1,2,3,3a-tetrahydrocyclopenta[b]pyrrole (PubChem CID 70099127) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 1,2,3,3a-tetrahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name1,2,3,3a-tetrahydrocyclopenta[b]pyrrole
PubChem CID70099127
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name1,2,3,3a-tetrahydrocyclopenta[b]pyrrole
SMILESC1=CC2CCNC2=C1
InChIInChI=1S/C7H9N/c1-2-6-4-5-8-7(6)3-1/h1-3,6,8H,4-5H2
InChIKeyFHFSSXFOZMZVGN-UHFFFAOYSA-N
XLogP1.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydroindole
CID 18315885
Tetrahydroindenoindole
CID 87216495
1,2,2,3,3,3a,4-heptadeuterio-4H-indole
CID 140923187
Tetrahydro-cycloheptindole
CID 129730463
Cycloheptapyrrolidine
CID 129834103
Tetrahydroindeno[1,2-b]pyrrole
CID 132280651
1,2,3,3a-Tetrahydrocyclopenta[g]indole
CID 22268691
1,2,3,3a,4,5-Hexahydrocyclopenta[b]pyrrole
CID 67771076
1,2,3,6a-Tetrahydrocyclopenta[c]pyrrole
CID 70052443
1,2,3,3a-Tetrahydrocyclopenta[f]indole
CID 90047108
2,3-dihydro-1H-cyclopenta[b]pyrrole
CID 90192716
N-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-dien-1-amine
CID 132059069

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a-tetrahydrocyclopenta[b]pyrrole?
The IUPAC name of 1,2,3,3a-tetrahydrocyclopenta[b]pyrrole (CID 70099127) is 1,2,3,3a-tetrahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 1,2,3,3a-tetrahydrocyclopenta[b]pyrrole?
The canonical SMILES for 1,2,3,3a-tetrahydrocyclopenta[b]pyrrole is C1=CC2CCNC2=C1.
What is the InChIKey of 1,2,3,3a-tetrahydrocyclopenta[b]pyrrole?
The InChIKey is FHFSSXFOZMZVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-2-6-4-5-8-7(6)3-1/h1-3,6,8H,4-5H2.
What are the key properties of 1,2,3,3a-tetrahydrocyclopenta[b]pyrrole?
1,2,3,3a-tetrahydrocyclopenta[b]pyrrole has a molecular weight of 107.16 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a-tetrahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 70099127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).