2-ethenyl-2,5-dihydro-1H-pyrrole

C6H9N — CID 139670117

IUPAC2-ethenyl-2,5-dihydro-1H-pyrrole
SMILESC=CC1C=CCN1
InChIInChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h2-4,6-7H,1,5H2
InChIKeySUNAQKCZCUADHC-UHFFFAOYSA-N
MW95.14 g/mol
LogP0.70
Rot. Bonds1

About 2-ethenyl-2,5-dihydro-1H-pyrrole

2-ethenyl-2,5-dihydro-1H-pyrrole (PubChem CID 139670117) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 2-ethenyl-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-ethenyl-2,5-dihydro-1H-pyrrole
PubChem CID139670117
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name2-ethenyl-2,5-dihydro-1H-pyrrole
SMILESC=CC1C=CCN1
InChIInChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h2-4,6-7H,1,5H2
InChIKeySUNAQKCZCUADHC-UHFFFAOYSA-N
XLogP0.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
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-ethenyl-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-ethenyl-2,5-dihydro-1H-pyrrole (CID 139670117) is 2-ethenyl-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-ethenyl-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-ethenyl-2,5-dihydro-1H-pyrrole is C=CC1C=CCN1.
What is the InChIKey of 2-ethenyl-2,5-dihydro-1H-pyrrole?
The InChIKey is SUNAQKCZCUADHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h2-4,6-7H,1,5H2.
What are the key properties of 2-ethenyl-2,5-dihydro-1H-pyrrole?
2-ethenyl-2,5-dihydro-1H-pyrrole has a molecular weight of 95.14 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 139670117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).