7-bromospiro[chromene-2,4'-piperidine]

C13H14BrNO — CID 82045795

IUPAC7-bromospiro[chromene-2,4'-piperidine]
SMILESBrc1ccc2c(c1)OC1(C=C2)CCNCC1
InChIInChI=1S/C13H14BrNO/c14-11-2-1-10-3-4-13(16-12(10)9-11)5-7-15-8-6-13/h1-4,9,15H,5-8H2
InChIKeyVRRPRNLUEAXHRT-UHFFFAOYSA-N
MW280.16 g/mol
LogP2.98
Rot. Bonds

About 7-bromospiro[chromene-2,4'-piperidine]

7-bromospiro[chromene-2,4'-piperidine] (PubChem CID 82045795) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is 7-bromospiro[chromene-2,4'-piperidine].

Molecular Properties

Compound Name7-bromospiro[chromene-2,4'-piperidine]
PubChem CID82045795
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name7-bromospiro[chromene-2,4'-piperidine]
SMILESBrc1ccc2c(c1)OC1(C=C2)CCNCC1
InChIInChI=1S/C13H14BrNO/c14-11-2-1-10-3-4-13(16-12(10)9-11)5-7-15-8-6-13/h1-4,9,15H,5-8H2
InChIKeyVRRPRNLUEAXHRT-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromospiro[chromene-2,4'-piperidine]?
The IUPAC name of 7-bromospiro[chromene-2,4'-piperidine] (CID 82045795) is 7-bromospiro[chromene-2,4'-piperidine].
What is the SMILES notation for 7-bromospiro[chromene-2,4'-piperidine]?
The canonical SMILES for 7-bromospiro[chromene-2,4'-piperidine] is Brc1ccc2c(c1)OC1(C=C2)CCNCC1.
What is the InChIKey of 7-bromospiro[chromene-2,4'-piperidine]?
The InChIKey is VRRPRNLUEAXHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c14-11-2-1-10-3-4-13(16-12(10)9-11)5-7-15-8-6-13/h1-4,9,15H,5-8H2.
What are the key properties of 7-bromospiro[chromene-2,4'-piperidine]?
7-bromospiro[chromene-2,4'-piperidine] has a molecular weight of 280.16 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromospiro[chromene-2,4'-piperidine] is sourced from PubChem (CID 82045795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).