1-(cyclopenten-1-yl)-2,5-dihydropyrrole

C9H13N — CID 45087615

IUPAC1-(cyclopenten-1-yl)-2,5-dihydropyrrole
SMILESC1=CCN(C2=CCCC2)C1
InChIInChI=1S/C9H13N/c1-2-6-9(5-1)10-7-3-4-8-10/h3-5H,1-2,6-8H2
InChIKeyKJCGNMZGWWEQJK-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.93
Rot. Bonds1

About 1-(cyclopenten-1-yl)-2,5-dihydropyrrole

1-(cyclopenten-1-yl)-2,5-dihydropyrrole (PubChem CID 45087615) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2,5-dihydropyrrole
PubChem CID45087615
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1-(cyclopenten-1-yl)-2,5-dihydropyrrole
SMILESC1=CCN(C2=CCCC2)C1
InChIInChI=1S/C9H13N/c1-2-6-9(5-1)10-7-3-4-8-10/h3-5H,1-2,6-8H2
InChIKeyKJCGNMZGWWEQJK-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.93
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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2,5-dihydropyrrole?
The IUPAC name of 1-(cyclopenten-1-yl)-2,5-dihydropyrrole (CID 45087615) is 1-(cyclopenten-1-yl)-2,5-dihydropyrrole.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2,5-dihydropyrrole?
The canonical SMILES for 1-(cyclopenten-1-yl)-2,5-dihydropyrrole is C1=CCN(C2=CCCC2)C1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2,5-dihydropyrrole?
The InChIKey is KJCGNMZGWWEQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-6-9(5-1)10-7-3-4-8-10/h3-5H,1-2,6-8H2.
What are the key properties of 1-(cyclopenten-1-yl)-2,5-dihydropyrrole?
1-(cyclopenten-1-yl)-2,5-dihydropyrrole has a molecular weight of 135.21 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2,5-dihydropyrrole is sourced from PubChem (CID 45087615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).