1-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-2,5-dihydropyrrole

C10H9N — CID 174566462

IUPAC1-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-2,5-dihydropyrrole
SMILESC1=CCN(c2c3cccc2-3)C1
InChIInChI=1S/C10H9N/c1-2-7-11(6-1)10-8-4-3-5-9(8)10/h1-5H,6-7H2
InChIKeyLYFDTSJDMCSHPP-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.04
Rot. Bonds1

About 1-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-2,5-dihydropyrrole

1-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-2,5-dihydropyrrole (PubChem CID 174566462) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-2,5-dihydropyrrole
PubChem CID174566462
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name1-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-2,5-dihydropyrrole
SMILESC1=CCN(c2c3cccc2-3)C1
InChIInChI=1S/C10H9N/c1-2-7-11(6-1)10-8-4-3-5-9(8)10/h1-5H,6-7H2
InChIKeyLYFDTSJDMCSHPP-UHFFFAOYSA-N
XLogP2.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.04
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-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-2,5-dihydropyrrole?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-2,5-dihydropyrrole (CID 174566462) is 1-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-2,5-dihydropyrrole.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-2,5-dihydropyrrole?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-2,5-dihydropyrrole is C1=CCN(c2c3cccc2-3)C1.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-2,5-dihydropyrrole?
The InChIKey is LYFDTSJDMCSHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-7-11(6-1)10-8-4-3-5-9(8)10/h1-5H,6-7H2.
What are the key properties of 1-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-2,5-dihydropyrrole?
1-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-2,5-dihydropyrrole has a molecular weight of 143.19 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-2,5-dihydropyrrole is sourced from PubChem (CID 174566462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).