5-pent-1-en-2-yl-2H-pyrrole

C9H13N — CID 126595284

IUPAC5-pent-1-en-2-yl-2H-pyrrole
SMILESC=C(CCC)C1=NCC=C1
InChIInChI=1S/C9H13N/c1-3-5-8(2)9-6-4-7-10-9/h4,6H,2-3,5,7H2,1H3
InChIKeyYFAMUSPUQMDPDG-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.35
Rot. Bonds3

About 5-pent-1-en-2-yl-2H-pyrrole

5-pent-1-en-2-yl-2H-pyrrole (PubChem CID 126595284) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 5-pent-1-en-2-yl-2H-pyrrole.

Molecular Properties

Compound Name5-pent-1-en-2-yl-2H-pyrrole
PubChem CID126595284
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name5-pent-1-en-2-yl-2H-pyrrole
SMILESC=C(CCC)C1=NCC=C1
InChIInChI=1S/C9H13N/c1-3-5-8(2)9-6-4-7-10-9/h4,6H,2-3,5,7H2,1H3
InChIKeyYFAMUSPUQMDPDG-UHFFFAOYSA-N
XLogP2.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-pent-1-en-2-yl-2H-pyrrole?
The IUPAC name of 5-pent-1-en-2-yl-2H-pyrrole (CID 126595284) is 5-pent-1-en-2-yl-2H-pyrrole.
What is the SMILES notation for 5-pent-1-en-2-yl-2H-pyrrole?
The canonical SMILES for 5-pent-1-en-2-yl-2H-pyrrole is C=C(CCC)C1=NCC=C1.
What is the InChIKey of 5-pent-1-en-2-yl-2H-pyrrole?
The InChIKey is YFAMUSPUQMDPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-5-8(2)9-6-4-7-10-9/h4,6H,2-3,5,7H2,1H3.
What are the key properties of 5-pent-1-en-2-yl-2H-pyrrole?
5-pent-1-en-2-yl-2H-pyrrole has a molecular weight of 135.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-1-en-2-yl-2H-pyrrole is sourced from PubChem (CID 126595284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).