7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid

C14H14BrNO3 — CID 67224324

IUPAC7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid
SMILESO=C1CC2(CCN(C(=O)O)CC2)c2c(Br)cccc21
InChIInChI=1S/C14H14BrNO3/c15-10-3-1-2-9-11(17)8-14(12(9)10)4-6-16(7-5-14)13(18)19/h1-3H,4-8H2,(H,18,19)
InChIKeyBALUAGRQNPWZKM-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.05
Rot. Bonds

About 7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid

7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid (PubChem CID 67224324) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid
PubChem CID67224324
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid
SMILESO=C1CC2(CCN(C(=O)O)CC2)c2c(Br)cccc21
InChIInChI=1S/C14H14BrNO3/c15-10-3-1-2-9-11(17)8-14(12(9)10)4-6-16(7-5-14)13(18)19/h1-3H,4-8H2,(H,18,19)
InChIKeyBALUAGRQNPWZKM-UHFFFAOYSA-N
XLogP3.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid (CID 67224324) is 7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid is O=C1CC2(CCN(C(=O)O)CC2)c2c(Br)cccc21.
What is the InChIKey of 7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid?
The InChIKey is BALUAGRQNPWZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c15-10-3-1-2-9-11(17)8-14(12(9)10)4-6-16(7-5-14)13(18)19/h1-3H,4-8H2,(H,18,19).
What are the key properties of 7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid?
7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid has a molecular weight of 324.17 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 67224324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).