1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine

C14H16BrN — CID 19043214

IUPAC1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine
SMILESBrc1cccc2c1CCC(N1CCCC1)=C2
InChIInChI=1S/C14H16BrN/c15-14-5-3-4-11-10-12(6-7-13(11)14)16-8-1-2-9-16/h3-5,10H,1-2,6-9H2
InChIKeyNEUVTAFDSPDIFV-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.83
Rot. Bonds1

About 1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine

1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine (PubChem CID 19043214) has the molecular formula C14H16BrN and a molecular weight of 278.19 g/mol. Its IUPAC name is 1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine
PubChem CID19043214
Molecular FormulaC14H16BrN
Molecular Weight278.19 g/mol
Exact Mass277.05
IUPAC Name1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine
SMILESBrc1cccc2c1CCC(N1CCCC1)=C2
InChIInChI=1S/C14H16BrN/c15-14-5-3-4-11-10-12(6-7-13(11)14)16-8-1-2-9-16/h3-5,10H,1-2,6-9H2
InChIKeyNEUVTAFDSPDIFV-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine?
The IUPAC name of 1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine (CID 19043214) is 1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine.
What is the SMILES notation for 1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine?
The canonical SMILES for 1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine is Brc1cccc2c1CCC(N1CCCC1)=C2.
What is the InChIKey of 1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine?
The InChIKey is NEUVTAFDSPDIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN/c15-14-5-3-4-11-10-12(6-7-13(11)14)16-8-1-2-9-16/h3-5,10H,1-2,6-9H2.
What are the key properties of 1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine?
1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine has a molecular weight of 278.19 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine is sourced from PubChem (CID 19043214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).