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

C16H19N — CID 43510641

IUPAC2,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole
SMILESCc1ccc(C)n1-c1cccc2c1CCCC2
InChIInChI=1S/C16H19N/c1-12-10-11-13(2)17(12)16-9-5-7-14-6-3-4-8-15(14)16/h5,7,9-11H,3-4,6,8H2,1-2H3
InChIKeyKWSIKAQWYHQGJU-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.97
Rot. Bonds1

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

2,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole (PubChem CID 43510641) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 2,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole
PubChem CID43510641
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name2,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole
SMILESCc1ccc(C)n1-c1cccc2c1CCCC2
InChIInChI=1S/C16H19N/c1-12-10-11-13(2)17(12)16-9-5-7-14-6-3-4-8-15(14)16/h5,7,9-11H,3-4,6,8H2,1-2H3
InChIKeyKWSIKAQWYHQGJU-UHFFFAOYSA-N
XLogP3.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole?
The IUPAC name of 2,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole (CID 43510641) is 2,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole.
What is the SMILES notation for 2,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole?
The canonical SMILES for 2,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole is Cc1ccc(C)n1-c1cccc2c1CCCC2.
What is the InChIKey of 2,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole?
The InChIKey is KWSIKAQWYHQGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-12-10-11-13(2)17(12)16-9-5-7-14-6-3-4-8-15(14)16/h5,7,9-11H,3-4,6,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole?
2,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole has a molecular weight of 225.34 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole is sourced from PubChem (CID 43510641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).