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

C8H15N — CID 147736582

IUPAC4-butyl-2,3-dihydro-1H-pyrrole
SMILESCCCCC1=CNCC1
InChIInChI=1S/C8H15N/c1-2-3-4-8-5-6-9-7-8/h7,9H,2-6H2,1H3
InChIKeyGZMGTIOODFDGSE-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.05
Rot. Bonds3

About 4-butyl-2,3-dihydro-1H-pyrrole

4-butyl-2,3-dihydro-1H-pyrrole (PubChem CID 147736582) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4-butyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name4-butyl-2,3-dihydro-1H-pyrrole
PubChem CID147736582
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4-butyl-2,3-dihydro-1H-pyrrole
SMILESCCCCC1=CNCC1
InChIInChI=1S/C8H15N/c1-2-3-4-8-5-6-9-7-8/h7,9H,2-6H2,1H3
InChIKeyGZMGTIOODFDGSE-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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Related Compounds

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1-pentylcyclopropene
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4-butyl-1,2-dimethyl-2,5-dihydropyrrole
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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 4-butyl-2,3-dihydro-1H-pyrrole (CID 147736582) is 4-butyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 4-butyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 4-butyl-2,3-dihydro-1H-pyrrole is CCCCC1=CNCC1.
What is the InChIKey of 4-butyl-2,3-dihydro-1H-pyrrole?
The InChIKey is GZMGTIOODFDGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-4-8-5-6-9-7-8/h7,9H,2-6H2,1H3.
What are the key properties of 4-butyl-2,3-dihydro-1H-pyrrole?
4-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 4-butyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 147736582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).