3-propan-2-yl-3H-pyrrole

C7H11N — CID 59104305

IUPAC3-propan-2-yl-3H-pyrrole
SMILESCC(C)C1C=CN=C1
InChIInChI=1S/C7H11N/c1-6(2)7-3-4-8-5-7/h3-7H,1-2H3
InChIKeyVJVLPXAGEXUMFN-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.86
Rot. Bonds1

About 3-propan-2-yl-3H-pyrrole

3-propan-2-yl-3H-pyrrole (PubChem CID 59104305) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3-propan-2-yl-3H-pyrrole.

Molecular Properties

Compound Name3-propan-2-yl-3H-pyrrole
PubChem CID59104305
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3-propan-2-yl-3H-pyrrole
SMILESCC(C)C1C=CN=C1
InChIInChI=1S/C7H11N/c1-6(2)7-3-4-8-5-7/h3-7H,1-2H3
InChIKeyVJVLPXAGEXUMFN-UHFFFAOYSA-N
XLogP1.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-propan-2-yl-3H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3H-pyrrole?
The IUPAC name of 3-propan-2-yl-3H-pyrrole (CID 59104305) is 3-propan-2-yl-3H-pyrrole.
What is the SMILES notation for 3-propan-2-yl-3H-pyrrole?
The canonical SMILES for 3-propan-2-yl-3H-pyrrole is CC(C)C1C=CN=C1.
What is the InChIKey of 3-propan-2-yl-3H-pyrrole?
The InChIKey is VJVLPXAGEXUMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6(2)7-3-4-8-5-7/h3-7H,1-2H3.
What are the key properties of 3-propan-2-yl-3H-pyrrole?
3-propan-2-yl-3H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 59104305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).