1-(2-phenylpropan-2-yl)pyrrole

C13H15N — CID 102584524

IUPAC1-(2-phenylpropan-2-yl)pyrrole
SMILESCC(C)(c1ccccc1)n1cccc1
InChIInChI=1S/C13H15N/c1-13(2,14-10-6-7-11-14)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyPGOREWDPBQHOON-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.27
Rot. Bonds2

About 1-(2-phenylpropan-2-yl)pyrrole

1-(2-phenylpropan-2-yl)pyrrole (PubChem CID 102584524) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2-phenylpropan-2-yl)pyrrole.

Molecular Properties

Compound Name1-(2-phenylpropan-2-yl)pyrrole
PubChem CID102584524
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name1-(2-phenylpropan-2-yl)pyrrole
SMILESCC(C)(c1ccccc1)n1cccc1
InChIInChI=1S/C13H15N/c1-13(2,14-10-6-7-11-14)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyPGOREWDPBQHOON-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
1,3-bis(2-phenylpropan-2-yl)imidazol-1-ium formate
CID 167431278
tert-butylbenzene;chloromethane;ethane
CID 91149652
tert-butylbenzene;molecular nitrogen
CID 146464751
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
(1-bromo-1-phenylethyl)benzene
CID 19019197
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
1,1-difluoroethylbenzene
CID 10942535
CID 177002326
CID 177002326
1,1-diphenylethanamine
CID 12761172
tert-butylbenzene;methanimine
CID 174908280

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropan-2-yl)pyrrole?
The IUPAC name of 1-(2-phenylpropan-2-yl)pyrrole (CID 102584524) is 1-(2-phenylpropan-2-yl)pyrrole.
What is the SMILES notation for 1-(2-phenylpropan-2-yl)pyrrole?
The canonical SMILES for 1-(2-phenylpropan-2-yl)pyrrole is CC(C)(c1ccccc1)n1cccc1.
What is the InChIKey of 1-(2-phenylpropan-2-yl)pyrrole?
The InChIKey is PGOREWDPBQHOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-13(2,14-10-6-7-11-14)12-8-4-3-5-9-12/h3-11H,1-2H3.
What are the key properties of 1-(2-phenylpropan-2-yl)pyrrole?
1-(2-phenylpropan-2-yl)pyrrole has a molecular weight of 185.27 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropan-2-yl)pyrrole is sourced from PubChem (CID 102584524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).