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

C8H15N — CID 70554029

IUPAC3-butyl-2,3-dihydro-1H-pyrrole
SMILESCCCCC1C=CNC1
InChIInChI=1S/C8H15N/c1-2-3-4-8-5-6-9-7-8/h5-6,8-9H,2-4,7H2,1H3
InChIKeyBZVMTCLGENKOOI-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.91
Rot. Bonds3

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

3-butyl-2,3-dihydro-1H-pyrrole (PubChem CID 70554029) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-butyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-butyl-2,3-dihydro-1H-pyrrole
PubChem CID70554029
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-butyl-2,3-dihydro-1H-pyrrole
SMILESCCCCC1C=CNC1
InChIInChI=1S/C8H15N/c1-2-3-4-8-5-6-9-7-8/h5-6,8-9H,2-4,7H2,1H3
InChIKeyBZVMTCLGENKOOI-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 3-butyl-2,3-dihydro-1H-pyrrole (CID 70554029) is 3-butyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 3-butyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 3-butyl-2,3-dihydro-1H-pyrrole is CCCCC1C=CNC1.
What is the InChIKey of 3-butyl-2,3-dihydro-1H-pyrrole?
The InChIKey is BZVMTCLGENKOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-4-8-5-6-9-7-8/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 3-butyl-2,3-dihydro-1H-pyrrole?
3-butyl-2,3-dihydro-1H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 70554029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).