3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine

C14H18BrN — CID 80676340

IUPAC3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine
SMILESBrC1CCN(Cc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C14H18BrN/c15-14-6-7-16(10-14)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8,14H,1-3,6-7,9-10H2
InChIKeyIIKCAUFSROHEPG-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.14
Rot. Bonds2

About 3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine

3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine (PubChem CID 80676340) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine
PubChem CID80676340
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine
SMILESBrC1CCN(Cc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C14H18BrN/c15-14-6-7-16(10-14)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8,14H,1-3,6-7,9-10H2
InChIKeyIIKCAUFSROHEPG-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173
3-bromo-1-[(4-iodophenyl)methyl]pyrrolidine
CID 80676631
3-bromo-8-(2,3-dihydro-1H-inden-5-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 80669856
1-(2,3-dihydro-1H-inden-5-ylmethyl)-N,3-diethylpiperidin-4-amine
CID 114507373
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81107910
methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate
CID 78966837
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride
CID 119924052
3-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 80677072
3-bromo-1-(thiophen-3-ylmethyl)pyrrolidine
CID 80675822
2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine
CID 80674675
3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpiperazine
CID 64832099
1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol
CID 69193657

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine?
The IUPAC name of 3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine (CID 80676340) is 3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine?
The canonical SMILES for 3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine is BrC1CCN(Cc2ccc3c(c2)CCC3)C1.
What is the InChIKey of 3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine?
The InChIKey is IIKCAUFSROHEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c15-14-6-7-16(10-14)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8,14H,1-3,6-7,9-10H2.
What are the key properties of 3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine?
3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine has a molecular weight of 280.21 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine is sourced from PubChem (CID 80676340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).