2,5-dimethyl-1-naphthalen-1-ylpyrrole

C16H15N — CID 1207567

IUPAC2,5-dimethyl-1-naphthalen-1-ylpyrrole
SMILESCc1ccc(C)n1-c1cccc2ccccc12
InChIInChI=1S/C16H15N/c1-12-10-11-13(2)17(12)16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3
InChIKeyUCWRRXOWTMTMQH-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.25
Rot. Bonds1

About 2,5-dimethyl-1-naphthalen-1-ylpyrrole

2,5-dimethyl-1-naphthalen-1-ylpyrrole (PubChem CID 1207567) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 2,5-dimethyl-1-naphthalen-1-ylpyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-naphthalen-1-ylpyrrole
PubChem CID1207567
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name2,5-dimethyl-1-naphthalen-1-ylpyrrole
SMILESCc1ccc(C)n1-c1cccc2ccccc12
InChIInChI=1S/C16H15N/c1-12-10-11-13(2)17(12)16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3
InChIKeyUCWRRXOWTMTMQH-UHFFFAOYSA-N
XLogP4.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.25
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-naphthalen-1-ylpyrrole?
The IUPAC name of 2,5-dimethyl-1-naphthalen-1-ylpyrrole (CID 1207567) is 2,5-dimethyl-1-naphthalen-1-ylpyrrole.
What is the SMILES notation for 2,5-dimethyl-1-naphthalen-1-ylpyrrole?
The canonical SMILES for 2,5-dimethyl-1-naphthalen-1-ylpyrrole is Cc1ccc(C)n1-c1cccc2ccccc12.
What is the InChIKey of 2,5-dimethyl-1-naphthalen-1-ylpyrrole?
The InChIKey is UCWRRXOWTMTMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-12-10-11-13(2)17(12)16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3.
What are the key properties of 2,5-dimethyl-1-naphthalen-1-ylpyrrole?
2,5-dimethyl-1-naphthalen-1-ylpyrrole has a molecular weight of 221.30 g/mol, XLogP of 4.25, 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-naphthalen-1-ylpyrrole is sourced from PubChem (CID 1207567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).