2,5-bis(prop-2-enyl)cyclopenta[b]pyrrole

C13H13N — CID 70163497

IUPAC2,5-bis(prop-2-enyl)cyclopenta[b]pyrrole
SMILESC=CCC1=CC2=CC(CC=C)=NC2=C1
InChIInChI=1S/C13H13N/c1-3-5-10-7-11-9-12(6-4-2)14-13(11)8-10/h3-4,7-9H,1-2,5-6H2
InChIKeyUOBVEWNFBASYPI-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.34
Rot. Bonds4

About 2,5-bis(prop-2-enyl)cyclopenta[b]pyrrole

2,5-bis(prop-2-enyl)cyclopenta[b]pyrrole (PubChem CID 70163497) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 2,5-bis(prop-2-enyl)cyclopenta[b]pyrrole.

Molecular Properties

Compound Name2,5-bis(prop-2-enyl)cyclopenta[b]pyrrole
PubChem CID70163497
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name2,5-bis(prop-2-enyl)cyclopenta[b]pyrrole
SMILESC=CCC1=CC2=CC(CC=C)=NC2=C1
InChIInChI=1S/C13H13N/c1-3-5-10-7-11-9-12(6-4-2)14-13(11)8-10/h3-4,7-9H,1-2,5-6H2
InChIKeyUOBVEWNFBASYPI-UHFFFAOYSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclopenta[b]pyrrole
CID 17855662
4H-Carbazole
CID 19360791
2H-carbazole
CID 19830578
Methyleneindole
CID 20077160
Cyclopentacarbazole
CID 21887528
Dihydroindeno[1,2-b]indole
CID 69302209
2-Prop-2-enylideneindole
CID 88403583
5-fluoro-2H-carbazole
CID 139329693
2-Fluoro-1-benzazocine
CID 175116888
Cyclopenta[b]pyrrole-carbonitrile
CID 129706252
Dihydrocyclopenta[b]indole
CID 129801781
2-Methyl-6-methylene indole
CID 177865505

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(prop-2-enyl)cyclopenta[b]pyrrole?
The IUPAC name of 2,5-bis(prop-2-enyl)cyclopenta[b]pyrrole (CID 70163497) is 2,5-bis(prop-2-enyl)cyclopenta[b]pyrrole.
What is the SMILES notation for 2,5-bis(prop-2-enyl)cyclopenta[b]pyrrole?
The canonical SMILES for 2,5-bis(prop-2-enyl)cyclopenta[b]pyrrole is C=CCC1=CC2=CC(CC=C)=NC2=C1.
What is the InChIKey of 2,5-bis(prop-2-enyl)cyclopenta[b]pyrrole?
The InChIKey is UOBVEWNFBASYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-3-5-10-7-11-9-12(6-4-2)14-13(11)8-10/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 2,5-bis(prop-2-enyl)cyclopenta[b]pyrrole?
2,5-bis(prop-2-enyl)cyclopenta[b]pyrrole has a molecular weight of 183.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(prop-2-enyl)cyclopenta[b]pyrrole is sourced from PubChem (CID 70163497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).