1-(4-propan-2-ylphenyl)pyrrole

C13H15N — CID 4105194

IUPAC1-(4-propan-2-ylphenyl)pyrrole
SMILESCC(C)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C13H15N/c1-11(2)12-5-7-13(8-6-12)14-9-3-4-10-14/h3-11H,1-2H3
InChIKeyNMAFKIONZPVOHK-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.60
Rot. Bonds2

About 1-(4-propan-2-ylphenyl)pyrrole

1-(4-propan-2-ylphenyl)pyrrole (PubChem CID 4105194) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)pyrrole.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)pyrrole
PubChem CID4105194
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name1-(4-propan-2-ylphenyl)pyrrole
SMILESCC(C)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C13H15N/c1-11(2)12-5-7-13(8-6-12)14-9-3-4-10-14/h3-11H,1-2H3
InChIKeyNMAFKIONZPVOHK-UHFFFAOYSA-N
XLogP3.60
TPSA4.93 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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Nicotine
CID 89594
Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Pheniramine
CID 4761
Myosmine
CID 442649
Triprolidine Hydrochloride Anhydrous
CID 5702129
5-Ethyl-2-methylpyridine
CID 7728
4-Phenylpyridine
CID 13651
3-Butylpyridine
CID 10874
3-Pentylpyridine
CID 238307
2-(3-Phenylpropyl)Pyridine
CID 459494

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)pyrrole?
The IUPAC name of 1-(4-propan-2-ylphenyl)pyrrole (CID 4105194) is 1-(4-propan-2-ylphenyl)pyrrole.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)pyrrole?
The canonical SMILES for 1-(4-propan-2-ylphenyl)pyrrole is CC(C)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)pyrrole?
The InChIKey is NMAFKIONZPVOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-11(2)12-5-7-13(8-6-12)14-9-3-4-10-14/h3-11H,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)pyrrole?
1-(4-propan-2-ylphenyl)pyrrole has a molecular weight of 185.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)pyrrole is sourced from PubChem (CID 4105194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).