2-(4-prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole

C18H23N — CID 70231593

IUPAC2-(4-prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole
SMILESC=CCC(CC=C)(CCCC)C1=NC2=CC=CC2=C1
InChIInChI=1S/C18H23N/c1-4-7-13-18(11-5-2,12-6-3)17-14-15-9-8-10-16(15)19-17/h5-6,8-10,14H,2-4,7,11-13H2,1H3
InChIKeyZLDQIIYTOBEWQA-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.15
Rot. Bonds8

About 2-(4-prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole

2-(4-prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole (PubChem CID 70231593) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(4-prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole.

Molecular Properties

Compound Name2-(4-prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole
PubChem CID70231593
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-(4-prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole
SMILESC=CCC(CC=C)(CCCC)C1=NC2=CC=CC2=C1
InChIInChI=1S/C18H23N/c1-4-7-13-18(11-5-2,12-6-3)17-14-15-9-8-10-16(15)19-17/h5-6,8-10,14H,2-4,7,11-13H2,1H3
InChIKeyZLDQIIYTOBEWQA-UHFFFAOYSA-N
XLogP5.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.15
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 2-(4-prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole?
The IUPAC name of 2-(4-prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole (CID 70231593) is 2-(4-prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole.
What is the SMILES notation for 2-(4-prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole?
The canonical SMILES for 2-(4-prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole is C=CCC(CC=C)(CCCC)C1=NC2=CC=CC2=C1.
What is the InChIKey of 2-(4-prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole?
The InChIKey is ZLDQIIYTOBEWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-7-13-18(11-5-2,12-6-3)17-14-15-9-8-10-16(15)19-17/h5-6,8-10,14H,2-4,7,11-13H2,1H3.
What are the key properties of 2-(4-prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole?
2-(4-prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole has a molecular weight of 253.39 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole is sourced from PubChem (CID 70231593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).