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

C8H15N — CID 21477759

IUPAC5-butyl-2,3-dihydro-1H-pyrrole
SMILESCCCCC1=CCCN1
InChIInChI=1S/C8H15N/c1-2-3-5-8-6-4-7-9-8/h6,9H,2-5,7H2,1H3
InChIKeyRILJUYZHDGLBAH-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.05
Rot. Bonds3

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

5-butyl-2,3-dihydro-1H-pyrrole (PubChem CID 21477759) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 5-butyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-butyl-2,3-dihydro-1H-pyrrole
PubChem CID21477759
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name5-butyl-2,3-dihydro-1H-pyrrole
SMILESCCCCC1=CCCN1
InChIInChI=1S/C8H15N/c1-2-3-5-8-6-4-7-9-8/h6,9H,2-5,7H2,1H3
InChIKeyRILJUYZHDGLBAH-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-butyl-2,3-dihydro-1H-pyrrole (CID 21477759) is 5-butyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-butyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-butyl-2,3-dihydro-1H-pyrrole is CCCCC1=CCCN1.
What is the InChIKey of 5-butyl-2,3-dihydro-1H-pyrrole?
The InChIKey is RILJUYZHDGLBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-5-8-6-4-7-9-8/h6,9H,2-5,7H2,1H3.
What are the key properties of 5-butyl-2,3-dihydro-1H-pyrrole?
5-butyl-2,3-dihydro-1H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 21477759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).