3-(2-phenylpropan-2-yl)-1H-pyrrole

C13H15N — CID 101002559

IUPAC3-(2-phenylpropan-2-yl)-1H-pyrrole
SMILESCC(C)(c1ccccc1)c1cc[nH]c1
InChIInChI=1S/C13H15N/c1-13(2,12-8-9-14-10-12)11-6-4-3-5-7-11/h3-10,14H,1-2H3
InChIKeyCWSSAEYKLSZWEI-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.34
Rot. Bonds2

About 3-(2-phenylpropan-2-yl)-1H-pyrrole

3-(2-phenylpropan-2-yl)-1H-pyrrole (PubChem CID 101002559) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(2-phenylpropan-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name3-(2-phenylpropan-2-yl)-1H-pyrrole
PubChem CID101002559
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3-(2-phenylpropan-2-yl)-1H-pyrrole
SMILESCC(C)(c1ccccc1)c1cc[nH]c1
InChIInChI=1S/C13H15N/c1-13(2,12-8-9-14-10-12)11-6-4-3-5-7-11/h3-10,14H,1-2H3
InChIKeyCWSSAEYKLSZWEI-UHFFFAOYSA-N
XLogP3.34
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
3-(tribromomethyl)-1H-pyrrole
CID 86014414
dimethyl(diphenyl)silane;2-phenylpropan-2-ylbenzene
CID 159821402
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene
CID 173279363
3,5-bis(2-phenylpropan-2-yl)aniline
CID 142144538
ethane;3-methylpentan-3-ylbenzene
CID 90745317
anthracene;benzene;ethane;octakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane
CID 161240969
9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole
CID 135141021
1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene
CID 156695476
trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium
CID 175105136

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpropan-2-yl)-1H-pyrrole?
The IUPAC name of 3-(2-phenylpropan-2-yl)-1H-pyrrole (CID 101002559) is 3-(2-phenylpropan-2-yl)-1H-pyrrole.
What is the SMILES notation for 3-(2-phenylpropan-2-yl)-1H-pyrrole?
The canonical SMILES for 3-(2-phenylpropan-2-yl)-1H-pyrrole is CC(C)(c1ccccc1)c1cc[nH]c1.
What is the InChIKey of 3-(2-phenylpropan-2-yl)-1H-pyrrole?
The InChIKey is CWSSAEYKLSZWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-13(2,12-8-9-14-10-12)11-6-4-3-5-7-11/h3-10,14H,1-2H3.
What are the key properties of 3-(2-phenylpropan-2-yl)-1H-pyrrole?
3-(2-phenylpropan-2-yl)-1H-pyrrole has a molecular weight of 185.27 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpropan-2-yl)-1H-pyrrole is sourced from PubChem (CID 101002559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).