2,5-dipropyl-1H-pyrrole

C10H17N — CID 18668065

IUPAC2,5-dipropyl-1H-pyrrole
SMILESCCCc1ccc(CCC)[nH]1
InChIInChI=1S/C10H17N/c1-3-5-9-7-8-10(11-9)6-4-2/h7-8,11H,3-6H2,1-2H3
InChIKeyRYXXWPBMCRQHNB-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.92
Rot. Bonds4

About 2,5-dipropyl-1H-pyrrole

2,5-dipropyl-1H-pyrrole (PubChem CID 18668065) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2,5-dipropyl-1H-pyrrole.

Molecular Properties

Compound Name2,5-dipropyl-1H-pyrrole
PubChem CID18668065
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2,5-dipropyl-1H-pyrrole
SMILESCCCc1ccc(CCC)[nH]1
InChIInChI=1S/C10H17N/c1-3-5-9-7-8-10(11-9)6-4-2/h7-8,11H,3-6H2,1-2H3
InChIKeyRYXXWPBMCRQHNB-UHFFFAOYSA-N
XLogP2.92
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,5-dipropyl-1H-pyrrole?
The IUPAC name of 2,5-dipropyl-1H-pyrrole (CID 18668065) is 2,5-dipropyl-1H-pyrrole.
What is the SMILES notation for 2,5-dipropyl-1H-pyrrole?
The canonical SMILES for 2,5-dipropyl-1H-pyrrole is CCCc1ccc(CCC)[nH]1.
What is the InChIKey of 2,5-dipropyl-1H-pyrrole?
The InChIKey is RYXXWPBMCRQHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-5-9-7-8-10(11-9)6-4-2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2,5-dipropyl-1H-pyrrole?
2,5-dipropyl-1H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipropyl-1H-pyrrole is sourced from PubChem (CID 18668065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).