1,3-bis(prop-2-ynyl)pyrrole

C10H9N — CID 12008705

IUPAC1,3-bis(prop-2-ynyl)pyrrole
SMILESC#CCc1ccn(CC#C)c1
InChIInChI=1S/C10H9N/c1-3-5-10-6-8-11(9-10)7-4-2/h1-2,6,8-9H,5,7H2
InChIKeyUOWRGFYEIQFNGE-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.30
Rot. Bonds2

About 1,3-bis(prop-2-ynyl)pyrrole

1,3-bis(prop-2-ynyl)pyrrole (PubChem CID 12008705) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 1,3-bis(prop-2-ynyl)pyrrole.

Molecular Properties

Compound Name1,3-bis(prop-2-ynyl)pyrrole
PubChem CID12008705
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name1,3-bis(prop-2-ynyl)pyrrole
SMILESC#CCc1ccn(CC#C)c1
InChIInChI=1S/C10H9N/c1-3-5-10-6-8-11(9-10)7-4-2/h1-2,6,8-9H,5,7H2
InChIKeyUOWRGFYEIQFNGE-UHFFFAOYSA-N
XLogP1.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1,3-bis(prop-2-ynyl)pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-2-ynyl)pyrrole?
The IUPAC name of 1,3-bis(prop-2-ynyl)pyrrole (CID 12008705) is 1,3-bis(prop-2-ynyl)pyrrole.
What is the SMILES notation for 1,3-bis(prop-2-ynyl)pyrrole?
The canonical SMILES for 1,3-bis(prop-2-ynyl)pyrrole is C#CCc1ccn(CC#C)c1.
What is the InChIKey of 1,3-bis(prop-2-ynyl)pyrrole?
The InChIKey is UOWRGFYEIQFNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-3-5-10-6-8-11(9-10)7-4-2/h1-2,6,8-9H,5,7H2.
What are the key properties of 1,3-bis(prop-2-ynyl)pyrrole?
1,3-bis(prop-2-ynyl)pyrrole has a molecular weight of 143.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-ynyl)pyrrole is sourced from PubChem (CID 12008705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).