2-(1-phenylbutan-2-yl)-1H-pyrrole

C14H17N — CID 57270402

IUPAC2-(1-phenylbutan-2-yl)-1H-pyrrole
SMILESCCC(Cc1ccccc1)c1ccc[nH]1
InChIInChI=1S/C14H17N/c1-2-13(14-9-6-10-15-14)11-12-7-4-3-5-8-12/h3-10,13,15H,2,11H2,1H3
InChIKeyWYPYQSGXQCMENG-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.75
Rot. Bonds4

About 2-(1-phenylbutan-2-yl)-1H-pyrrole

2-(1-phenylbutan-2-yl)-1H-pyrrole (PubChem CID 57270402) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(1-phenylbutan-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name2-(1-phenylbutan-2-yl)-1H-pyrrole
PubChem CID57270402
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-(1-phenylbutan-2-yl)-1H-pyrrole
SMILESCCC(Cc1ccccc1)c1ccc[nH]1
InChIInChI=1S/C14H17N/c1-2-13(14-9-6-10-15-14)11-12-7-4-3-5-8-12/h3-10,13,15H,2,11H2,1H3
InChIKeyWYPYQSGXQCMENG-UHFFFAOYSA-N
XLogP3.75
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbutan-2-yl)-1H-pyrrole?
The IUPAC name of 2-(1-phenylbutan-2-yl)-1H-pyrrole (CID 57270402) is 2-(1-phenylbutan-2-yl)-1H-pyrrole.
What is the SMILES notation for 2-(1-phenylbutan-2-yl)-1H-pyrrole?
The canonical SMILES for 2-(1-phenylbutan-2-yl)-1H-pyrrole is CCC(Cc1ccccc1)c1ccc[nH]1.
What is the InChIKey of 2-(1-phenylbutan-2-yl)-1H-pyrrole?
The InChIKey is WYPYQSGXQCMENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-13(14-9-6-10-15-14)11-12-7-4-3-5-8-12/h3-10,13,15H,2,11H2,1H3.
What are the key properties of 2-(1-phenylbutan-2-yl)-1H-pyrrole?
2-(1-phenylbutan-2-yl)-1H-pyrrole has a molecular weight of 199.30 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbutan-2-yl)-1H-pyrrole is sourced from PubChem (CID 57270402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).