5-ethenyl-2,3-dihydro-1H-pyrrole

C6H9N — CID 22160293

IUPAC5-ethenyl-2,3-dihydro-1H-pyrrole
SMILESC=CC1=CCCN1
InChIInChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h2,4,7H,1,3,5H2
InChIKeyFPNZGKGDOGMVHE-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.05
Rot. Bonds1

About 5-ethenyl-2,3-dihydro-1H-pyrrole

5-ethenyl-2,3-dihydro-1H-pyrrole (PubChem CID 22160293) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 5-ethenyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-ethenyl-2,3-dihydro-1H-pyrrole
PubChem CID22160293
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name5-ethenyl-2,3-dihydro-1H-pyrrole
SMILESC=CC1=CCCN1
InChIInChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h2,4,7H,1,3,5H2
InChIKeyFPNZGKGDOGMVHE-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-ethenyl-2,3-dihydro-1H-pyrrole (CID 22160293) is 5-ethenyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-ethenyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-ethenyl-2,3-dihydro-1H-pyrrole is C=CC1=CCCN1.
What is the InChIKey of 5-ethenyl-2,3-dihydro-1H-pyrrole?
The InChIKey is FPNZGKGDOGMVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h2,4,7H,1,3,5H2.
What are the key properties of 5-ethenyl-2,3-dihydro-1H-pyrrole?
5-ethenyl-2,3-dihydro-1H-pyrrole has a molecular weight of 95.14 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 22160293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).