1-ethyl-2-phenyl-3-propan-2-ylpyrrole

C15H19N — CID 1270769

IUPAC1-ethyl-2-phenyl-3-propan-2-ylpyrrole
SMILESCCn1ccc(C(C)C)c1-c1ccccc1
InChIInChI=1S/C15H19N/c1-4-16-11-10-14(12(2)3)15(16)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3
InChIKeySOOQYEUSGIYCDU-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.30
Rot. Bonds3

About 1-ethyl-2-phenyl-3-propan-2-ylpyrrole

1-ethyl-2-phenyl-3-propan-2-ylpyrrole (PubChem CID 1270769) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-ethyl-2-phenyl-3-propan-2-ylpyrrole.

Molecular Properties

Compound Name1-ethyl-2-phenyl-3-propan-2-ylpyrrole
PubChem CID1270769
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1-ethyl-2-phenyl-3-propan-2-ylpyrrole
SMILESCCn1ccc(C(C)C)c1-c1ccccc1
InChIInChI=1S/C15H19N/c1-4-16-11-10-14(12(2)3)15(16)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3
InChIKeySOOQYEUSGIYCDU-UHFFFAOYSA-N
XLogP4.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-phenyl-3-propan-2-ylpyrrole?
The IUPAC name of 1-ethyl-2-phenyl-3-propan-2-ylpyrrole (CID 1270769) is 1-ethyl-2-phenyl-3-propan-2-ylpyrrole.
What is the SMILES notation for 1-ethyl-2-phenyl-3-propan-2-ylpyrrole?
The canonical SMILES for 1-ethyl-2-phenyl-3-propan-2-ylpyrrole is CCn1ccc(C(C)C)c1-c1ccccc1.
What is the InChIKey of 1-ethyl-2-phenyl-3-propan-2-ylpyrrole?
The InChIKey is SOOQYEUSGIYCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-4-16-11-10-14(12(2)3)15(16)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3.
What are the key properties of 1-ethyl-2-phenyl-3-propan-2-ylpyrrole?
1-ethyl-2-phenyl-3-propan-2-ylpyrrole has a molecular weight of 213.32 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-phenyl-3-propan-2-ylpyrrole is sourced from PubChem (CID 1270769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).