2-propan-2-yl-2-propylpyrrole

C10H17N — CID 91513599

IUPAC2-propan-2-yl-2-propylpyrrole
SMILESCCCC1(C(C)C)C=CC=N1
InChIInChI=1S/C10H17N/c1-4-6-10(9(2)3)7-5-8-11-10/h5,7-9H,4,6H2,1-3H3
InChIKeyWYOCLIBFGAFXPY-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.82
Rot. Bonds3

About 2-propan-2-yl-2-propylpyrrole

2-propan-2-yl-2-propylpyrrole (PubChem CID 91513599) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-propan-2-yl-2-propylpyrrole.

Molecular Properties

Compound Name2-propan-2-yl-2-propylpyrrole
PubChem CID91513599
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-propan-2-yl-2-propylpyrrole
SMILESCCCC1(C(C)C)C=CC=N1
InChIInChI=1S/C10H17N/c1-4-6-10(9(2)3)7-5-8-11-10/h5,7-9H,4,6H2,1-3H3
InChIKeyWYOCLIBFGAFXPY-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-propylpyrrole?
The IUPAC name of 2-propan-2-yl-2-propylpyrrole (CID 91513599) is 2-propan-2-yl-2-propylpyrrole.
What is the SMILES notation for 2-propan-2-yl-2-propylpyrrole?
The canonical SMILES for 2-propan-2-yl-2-propylpyrrole is CCCC1(C(C)C)C=CC=N1.
What is the InChIKey of 2-propan-2-yl-2-propylpyrrole?
The InChIKey is WYOCLIBFGAFXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-6-10(9(2)3)7-5-8-11-10/h5,7-9H,4,6H2,1-3H3.
What are the key properties of 2-propan-2-yl-2-propylpyrrole?
2-propan-2-yl-2-propylpyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-propylpyrrole is sourced from PubChem (CID 91513599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).