2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole

C21H21N — CID 3021794

IUPAC2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole
SMILESCc1ccc(-c2ccc3c(c2)CCCC3)n1-c1ccccc1
InChIInChI=1S/C21H21N/c1-16-11-14-21(22(16)20-9-3-2-4-10-20)19-13-12-17-7-5-6-8-18(17)15-19/h2-4,9-15H,5-8H2,1H3
InChIKeyZTYZTEDUJVTPID-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.33
Rot. Bonds2

About 2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole

2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole (PubChem CID 3021794) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole.

Molecular Properties

Compound Name2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole
PubChem CID3021794
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole
SMILESCc1ccc(-c2ccc3c(c2)CCCC3)n1-c1ccccc1
InChIInChI=1S/C21H21N/c1-16-11-14-21(22(16)20-9-3-2-4-10-20)19-13-12-17-7-5-6-8-18(17)15-19/h2-4,9-15H,5-8H2,1H3
InChIKeyZTYZTEDUJVTPID-UHFFFAOYSA-N
XLogP5.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole?
The IUPAC name of 2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole (CID 3021794) is 2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole.
What is the SMILES notation for 2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole?
The canonical SMILES for 2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole is Cc1ccc(-c2ccc3c(c2)CCCC3)n1-c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole?
The InChIKey is ZTYZTEDUJVTPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-16-11-14-21(22(16)20-9-3-2-4-10-20)19-13-12-17-7-5-6-8-18(17)15-19/h2-4,9-15H,5-8H2,1H3.
What are the key properties of 2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole?
2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole has a molecular weight of 287.41 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole is sourced from PubChem (CID 3021794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).