6-bromospiro[3H-chromene-2,4'-piperidine]-4-one

C13H14BrNO2 — CID 2794778

IUPAC6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCNCC2)Oc2ccc(Br)cc21
InChIInChI=1S/C13H14BrNO2/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13/h1-2,7,15H,3-6,8H2
InChIKeyHTOKNOIQHUEHNB-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.54
Rot. Bonds

About 6-bromospiro[3H-chromene-2,4'-piperidine]-4-one

6-bromospiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 2794778) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 6-bromospiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID2794778
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCNCC2)Oc2ccc(Br)cc21
InChIInChI=1S/C13H14BrNO2/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13/h1-2,7,15H,3-6,8H2
InChIKeyHTOKNOIQHUEHNB-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-bromospiro[3H-chromene-2,4'-piperidine]-4-one (CID 2794778) is 6-bromospiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-bromospiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-bromospiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCNCC2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromospiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is HTOKNOIQHUEHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13/h1-2,7,15H,3-6,8H2.
What are the key properties of 6-bromospiro[3H-chromene-2,4'-piperidine]-4-one?
6-bromospiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 296.16 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromospiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 2794778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).