3-(4-propan-2-ylphenyl)-3H-pyrrole

C13H15N — CID 158896425

IUPAC3-(4-propan-2-ylphenyl)-3H-pyrrole
SMILESCC(C)c1ccc(C2C=CN=C2)cc1
InChIInChI=1S/C13H15N/c1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13/h3-10,13H,1-2H3
InChIKeyMFRDXSGSRXDDPI-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.49
Rot. Bonds2

About 3-(4-propan-2-ylphenyl)-3H-pyrrole

3-(4-propan-2-ylphenyl)-3H-pyrrole (PubChem CID 158896425) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)-3H-pyrrole.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)-3H-pyrrole
PubChem CID158896425
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3-(4-propan-2-ylphenyl)-3H-pyrrole
SMILESCC(C)c1ccc(C2C=CN=C2)cc1
InChIInChI=1S/C13H15N/c1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13/h3-10,13H,1-2H3
InChIKeyMFRDXSGSRXDDPI-UHFFFAOYSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)-3H-pyrrole?
The IUPAC name of 3-(4-propan-2-ylphenyl)-3H-pyrrole (CID 158896425) is 3-(4-propan-2-ylphenyl)-3H-pyrrole.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)-3H-pyrrole?
The canonical SMILES for 3-(4-propan-2-ylphenyl)-3H-pyrrole is CC(C)c1ccc(C2C=CN=C2)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)-3H-pyrrole?
The InChIKey is MFRDXSGSRXDDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13/h3-10,13H,1-2H3.
What are the key properties of 3-(4-propan-2-ylphenyl)-3H-pyrrole?
3-(4-propan-2-ylphenyl)-3H-pyrrole has a molecular weight of 185.27 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)-3H-pyrrole is sourced from PubChem (CID 158896425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).