4,6a-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide

C8H11N3 — CID 123421050

IUPAC4,6a-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide
SMILES[H]/N=C(\N)N1CC=C2CC=CC21
InChIInChI=1S/C8H11N3/c9-8(10)11-5-4-6-2-1-3-7(6)11/h1,3-4,7H,2,5H2,(H3,9,10)
InChIKeyAEIUZDMMZLBRGO-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.45
Rot. Bonds

About 4,6a-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide

4,6a-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide (PubChem CID 123421050) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 4,6a-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide.

Molecular Properties

Compound Name4,6a-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide
PubChem CID123421050
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name4,6a-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide
SMILES[H]/N=C(\N)N1CC=C2CC=CC21
InChIInChI=1S/C8H11N3/c9-8(10)11-5-4-6-2-1-3-7(6)11/h1,3-4,7H,2,5H2,(H3,9,10)
InChIKeyAEIUZDMMZLBRGO-UHFFFAOYSA-N
XLogP0.45
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide
CID 145028307

Frequently Asked Questions

What is the IUPAC name of 4,6a-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide?
The IUPAC name of 4,6a-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide (CID 123421050) is 4,6a-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide.
What is the SMILES notation for 4,6a-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide?
The canonical SMILES for 4,6a-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide is [H]/N=C(\N)N1CC=C2CC=CC21.
What is the InChIKey of 4,6a-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide?
The InChIKey is AEIUZDMMZLBRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c9-8(10)11-5-4-6-2-1-3-7(6)11/h1,3-4,7H,2,5H2,(H3,9,10).
What are the key properties of 4,6a-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide?
4,6a-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide has a molecular weight of 149.20 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6a-dihydro-2H-cyclopenta[b]pyrrole-1-carboximidamide is sourced from PubChem (CID 123421050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).