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

C6H11N — CID 23422339

IUPAC5-ethyl-2,3-dihydro-1H-pyrrole
SMILESCCC1=CCCN1
InChIInChI=1S/C6H11N/c1-2-6-4-3-5-7-6/h4,7H,2-3,5H2,1H3
InChIKeyBHRDERJKRBPTOZ-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.27
Rot. Bonds1

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

5-ethyl-2,3-dihydro-1H-pyrrole (PubChem CID 23422339) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 5-ethyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-ethyl-2,3-dihydro-1H-pyrrole
PubChem CID23422339
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name5-ethyl-2,3-dihydro-1H-pyrrole
SMILESCCC1=CCCN1
InChIInChI=1S/C6H11N/c1-2-6-4-3-5-7-6/h4,7H,2-3,5H2,1H3
InChIKeyBHRDERJKRBPTOZ-UHFFFAOYSA-N
XLogP1.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-ethyl-2,3-dihydro-1H-pyrrole (CID 23422339) is 5-ethyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-ethyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-ethyl-2,3-dihydro-1H-pyrrole is CCC1=CCCN1.
What is the InChIKey of 5-ethyl-2,3-dihydro-1H-pyrrole?
The InChIKey is BHRDERJKRBPTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-2-6-4-3-5-7-6/h4,7H,2-3,5H2,1H3.
What are the key properties of 5-ethyl-2,3-dihydro-1H-pyrrole?
5-ethyl-2,3-dihydro-1H-pyrrole has a molecular weight of 97.16 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 23422339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).