2-cyclopropyl-3-ethoxy-2,5-diphenylpyrrole

C21H21NO — CID 11066645

IUPAC2-cyclopropyl-3-ethoxy-2,5-diphenylpyrrole
SMILESCCOC1=CC(c2ccccc2)=NC1(c1ccccc1)C1CC1
InChIInChI=1S/C21H21NO/c1-2-23-20-15-19(16-9-5-3-6-10-16)22-21(20,18-13-14-18)17-11-7-4-8-12-17/h3-12,15,18H,2,13-14H2,1H3
InChIKeyNTYBFENAXTXUQE-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.72
Rot. Bonds5

About 2-cyclopropyl-3-ethoxy-2,5-diphenylpyrrole

2-cyclopropyl-3-ethoxy-2,5-diphenylpyrrole (PubChem CID 11066645) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-ethoxy-2,5-diphenylpyrrole.

Molecular Properties

Compound Name2-cyclopropyl-3-ethoxy-2,5-diphenylpyrrole
PubChem CID11066645
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name2-cyclopropyl-3-ethoxy-2,5-diphenylpyrrole
SMILESCCOC1=CC(c2ccccc2)=NC1(c1ccccc1)C1CC1
InChIInChI=1S/C21H21NO/c1-2-23-20-15-19(16-9-5-3-6-10-16)22-21(20,18-13-14-18)17-11-7-4-8-12-17/h3-12,15,18H,2,13-14H2,1H3
InChIKeyNTYBFENAXTXUQE-UHFFFAOYSA-N
XLogP4.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-ethoxy-2,5-diphenylpyrrole?
The IUPAC name of 2-cyclopropyl-3-ethoxy-2,5-diphenylpyrrole (CID 11066645) is 2-cyclopropyl-3-ethoxy-2,5-diphenylpyrrole.
What is the SMILES notation for 2-cyclopropyl-3-ethoxy-2,5-diphenylpyrrole?
The canonical SMILES for 2-cyclopropyl-3-ethoxy-2,5-diphenylpyrrole is CCOC1=CC(c2ccccc2)=NC1(c1ccccc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-ethoxy-2,5-diphenylpyrrole?
The InChIKey is NTYBFENAXTXUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-2-23-20-15-19(16-9-5-3-6-10-16)22-21(20,18-13-14-18)17-11-7-4-8-12-17/h3-12,15,18H,2,13-14H2,1H3.
What are the key properties of 2-cyclopropyl-3-ethoxy-2,5-diphenylpyrrole?
2-cyclopropyl-3-ethoxy-2,5-diphenylpyrrole has a molecular weight of 303.41 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-ethoxy-2,5-diphenylpyrrole is sourced from PubChem (CID 11066645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).