2-propyl-1H-pyrrole

C7H11N — CID 527559

IUPAC2-propyl-1H-pyrrole
SMILESCCCc1ccc[nH]1
InChIInChI=1S/C7H11N/c1-2-4-7-5-3-6-8-7/h3,5-6,8H,2,4H2,1H3
InChIKeyBPPNDUBGLQQQBY-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.97
Rot. Bonds2

About 2-propyl-1H-pyrrole

2-propyl-1H-pyrrole (PubChem CID 527559) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-propyl-1H-pyrrole.

Molecular Properties

Compound Name2-propyl-1H-pyrrole
PubChem CID527559
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-propyl-1H-pyrrole
SMILESCCCc1ccc[nH]1
InChIInChI=1S/C7H11N/c1-2-4-7-5-3-6-8-7/h3,5-6,8H,2,4H2,1H3
InChIKeyBPPNDUBGLQQQBY-UHFFFAOYSA-N
XLogP1.97
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1H-pyrrole?
The IUPAC name of 2-propyl-1H-pyrrole (CID 527559) is 2-propyl-1H-pyrrole.
What is the SMILES notation for 2-propyl-1H-pyrrole?
The canonical SMILES for 2-propyl-1H-pyrrole is CCCc1ccc[nH]1.
What is the InChIKey of 2-propyl-1H-pyrrole?
The InChIKey is BPPNDUBGLQQQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-4-7-5-3-6-8-7/h3,5-6,8H,2,4H2,1H3.
What are the key properties of 2-propyl-1H-pyrrole?
2-propyl-1H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-pyrrole is sourced from PubChem (CID 527559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).