(4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane

C14H18BrN — CID 124670148

IUPAC(4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane
SMILESBrc1ccccc1[C@@H]1CNCC12CCCC2
InChIInChI=1S/C14H18BrN/c15-13-6-2-1-5-11(13)12-9-16-10-14(12)7-3-4-8-14/h1-2,5-6,12,16H,3-4,7-10H2/t12-/m0/s1
InChIKeyPOMNUBBENIRIOA-LBPRGKRZSA-N
MW280.21 g/mol
LogP3.70
Rot. Bonds1

About (4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane

(4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane (PubChem CID 124670148) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is (4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane
PubChem CID124670148
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name(4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane
SMILESBrc1ccccc1[C@@H]1CNCC12CCCC2
InChIInChI=1S/C14H18BrN/c15-13-6-2-1-5-11(13)12-9-16-10-14(12)7-3-4-8-14/h1-2,5-6,12,16H,3-4,7-10H2/t12-/m0/s1
InChIKeyPOMNUBBENIRIOA-LBPRGKRZSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane?
The IUPAC name of (4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane (CID 124670148) is (4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane.
What is the SMILES notation for (4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane?
The canonical SMILES for (4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane is Brc1ccccc1[C@@H]1CNCC12CCCC2.
What is the InChIKey of (4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane?
The InChIKey is POMNUBBENIRIOA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18BrN/c15-13-6-2-1-5-11(13)12-9-16-10-14(12)7-3-4-8-14/h1-2,5-6,12,16H,3-4,7-10H2/t12-/m0/s1.
What are the key properties of (4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane?
(4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane has a molecular weight of 280.21 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane is sourced from PubChem (CID 124670148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).