1-(2,4-dibromonaphthalen-1-yl)pyrrolidine

C14H13Br2N — CID 69226241

IUPAC1-(2,4-dibromonaphthalen-1-yl)pyrrolidine
SMILESBrc1cc(Br)c2ccccc2c1N1CCCC1
InChIInChI=1S/C14H13Br2N/c15-12-9-13(16)14(17-7-3-4-8-17)11-6-2-1-5-10(11)12/h1-2,5-6,9H,3-4,7-8H2
InChIKeyJUNDCPCSTQMHSE-UHFFFAOYSA-N
MW355.07 g/mol
LogP4.97
Rot. Bonds1

About 1-(2,4-dibromonaphthalen-1-yl)pyrrolidine

1-(2,4-dibromonaphthalen-1-yl)pyrrolidine (PubChem CID 69226241) has the molecular formula C14H13Br2N and a molecular weight of 355.07 g/mol. Its IUPAC name is 1-(2,4-dibromonaphthalen-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2,4-dibromonaphthalen-1-yl)pyrrolidine
PubChem CID69226241
Molecular FormulaC14H13Br2N
Molecular Weight355.07 g/mol
Exact Mass352.94
IUPAC Name1-(2,4-dibromonaphthalen-1-yl)pyrrolidine
SMILESBrc1cc(Br)c2ccccc2c1N1CCCC1
InChIInChI=1S/C14H13Br2N/c15-12-9-13(16)14(17-7-3-4-8-17)11-6-2-1-5-10(11)12/h1-2,5-6,9H,3-4,7-8H2
InChIKeyJUNDCPCSTQMHSE-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.07
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-dibromonaphthalen-1-yl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromonaphthalen-1-yl)pyrrolidine?
The IUPAC name of 1-(2,4-dibromonaphthalen-1-yl)pyrrolidine (CID 69226241) is 1-(2,4-dibromonaphthalen-1-yl)pyrrolidine.
What is the SMILES notation for 1-(2,4-dibromonaphthalen-1-yl)pyrrolidine?
The canonical SMILES for 1-(2,4-dibromonaphthalen-1-yl)pyrrolidine is Brc1cc(Br)c2ccccc2c1N1CCCC1.
What is the InChIKey of 1-(2,4-dibromonaphthalen-1-yl)pyrrolidine?
The InChIKey is JUNDCPCSTQMHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N/c15-12-9-13(16)14(17-7-3-4-8-17)11-6-2-1-5-10(11)12/h1-2,5-6,9H,3-4,7-8H2.
What are the key properties of 1-(2,4-dibromonaphthalen-1-yl)pyrrolidine?
1-(2,4-dibromonaphthalen-1-yl)pyrrolidine has a molecular weight of 355.07 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromonaphthalen-1-yl)pyrrolidine is sourced from PubChem (CID 69226241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).