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

C8H13N — CID 19067949

IUPAC5-cyclobutyl-2,3-dihydro-1H-pyrrole
SMILESC1=C(C2CCC2)NCC1
InChIInChI=1S/C8H13N/c1-3-7(4-1)8-5-2-6-9-8/h5,7,9H,1-4,6H2
InChIKeyXJVGYWRNPQUHFA-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.66
Rot. Bonds1

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

5-cyclobutyl-2,3-dihydro-1H-pyrrole (PubChem CID 19067949) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-cyclobutyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-cyclobutyl-2,3-dihydro-1H-pyrrole
PubChem CID19067949
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-cyclobutyl-2,3-dihydro-1H-pyrrole
SMILESC1=C(C2CCC2)NCC1
InChIInChI=1S/C8H13N/c1-3-7(4-1)8-5-2-6-9-8/h5,7,9H,1-4,6H2
InChIKeyXJVGYWRNPQUHFA-UHFFFAOYSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-cyclobutyl-2,3-dihydro-1H-pyrrole (CID 19067949) is 5-cyclobutyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-cyclobutyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-cyclobutyl-2,3-dihydro-1H-pyrrole is C1=C(C2CCC2)NCC1.
What is the InChIKey of 5-cyclobutyl-2,3-dihydro-1H-pyrrole?
The InChIKey is XJVGYWRNPQUHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-7(4-1)8-5-2-6-9-8/h5,7,9H,1-4,6H2.
What are the key properties of 5-cyclobutyl-2,3-dihydro-1H-pyrrole?
5-cyclobutyl-2,3-dihydro-1H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 19067949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).