1-(6-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine

C13H16BrN — CID 22349565

IUPAC1-(6-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine
SMILESBrc1ccc2c(c1)C(N1CCCC1)CC2
InChIInChI=1S/C13H16BrN/c14-11-5-3-10-4-6-13(12(10)9-11)15-7-1-2-8-15/h3,5,9,13H,1-2,4,6-8H2
InChIKeyIXGFXBANYPFAPD-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.53
Rot. Bonds1

About 1-(6-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine

1-(6-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine (PubChem CID 22349565) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 1-(6-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(6-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine
PubChem CID22349565
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name1-(6-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine
SMILESBrc1ccc2c(c1)C(N1CCCC1)CC2
InChIInChI=1S/C13H16BrN/c14-11-5-3-10-4-6-13(12(10)9-11)15-7-1-2-8-15/h3,5,9,13H,1-2,4,6-8H2
InChIKeyIXGFXBANYPFAPD-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine?
The IUPAC name of 1-(6-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine (CID 22349565) is 1-(6-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine.
What is the SMILES notation for 1-(6-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine?
The canonical SMILES for 1-(6-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine is Brc1ccc2c(c1)C(N1CCCC1)CC2.
What is the InChIKey of 1-(6-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine?
The InChIKey is IXGFXBANYPFAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c14-11-5-3-10-4-6-13(12(10)9-11)15-7-1-2-8-15/h3,5,9,13H,1-2,4,6-8H2.
What are the key properties of 1-(6-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine?
1-(6-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine has a molecular weight of 266.18 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine is sourced from PubChem (CID 22349565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).