2,2,5,5-tetramethyl-1-phenylpyrrole

C14H19N — CID 118934135

IUPAC2,2,5,5-tetramethyl-1-phenylpyrrole
SMILESCC1(C)C=CC(C)(C)N1c1ccccc1
InChIInChI=1S/C14H19N/c1-13(2)10-11-14(3,4)15(13)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyLMGUTQBXMQWTPN-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.62
Rot. Bonds1

About 2,2,5,5-tetramethyl-1-phenylpyrrole

2,2,5,5-tetramethyl-1-phenylpyrrole (PubChem CID 118934135) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-1-phenylpyrrole.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-1-phenylpyrrole
PubChem CID118934135
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2,2,5,5-tetramethyl-1-phenylpyrrole
SMILESCC1(C)C=CC(C)(C)N1c1ccccc1
InChIInChI=1S/C14H19N/c1-13(2)10-11-14(3,4)15(13)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyLMGUTQBXMQWTPN-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-1-phenylpyrrole?
The IUPAC name of 2,2,5,5-tetramethyl-1-phenylpyrrole (CID 118934135) is 2,2,5,5-tetramethyl-1-phenylpyrrole.
What is the SMILES notation for 2,2,5,5-tetramethyl-1-phenylpyrrole?
The canonical SMILES for 2,2,5,5-tetramethyl-1-phenylpyrrole is CC1(C)C=CC(C)(C)N1c1ccccc1.
What is the InChIKey of 2,2,5,5-tetramethyl-1-phenylpyrrole?
The InChIKey is LMGUTQBXMQWTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-13(2)10-11-14(3,4)15(13)12-8-6-5-7-9-12/h5-11H,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-1-phenylpyrrole?
2,2,5,5-tetramethyl-1-phenylpyrrole has a molecular weight of 201.31 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-1-phenylpyrrole is sourced from PubChem (CID 118934135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).