8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C20H26BrNO2 — CID 90137526

IUPAC8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESBrc1ccc(N2CCC3(CC2)OCCO3)c2c1CC1(CCCC1)C2
InChIInChI=1S/C20H26BrNO2/c21-17-3-4-18(16-14-19(13-15(16)17)5-1-2-6-19)22-9-7-20(8-10-22)23-11-12-24-20/h3-4H,1-2,5-14H2
InChIKeyUUUFNLHQFRYYRX-UHFFFAOYSA-N
MW392.34 g/mol
LogP4.45
Rot. Bonds1

About 8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 90137526) has the molecular formula C20H26BrNO2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID90137526
Molecular FormulaC20H26BrNO2
Molecular Weight392.34 g/mol
Exact Mass391.11
IUPAC Name8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESBrc1ccc(N2CCC3(CC2)OCCO3)c2c1CC1(CCCC1)C2
InChIInChI=1S/C20H26BrNO2/c21-17-3-4-18(16-14-19(13-15(16)17)5-1-2-6-19)22-9-7-20(8-10-22)23-11-12-24-20/h3-4H,1-2,5-14H2
InChIKeyUUUFNLHQFRYYRX-UHFFFAOYSA-N
XLogP4.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 90137526) is 8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane is Brc1ccc(N2CCC3(CC2)OCCO3)c2c1CC1(CCCC1)C2.
What is the InChIKey of 8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is UUUFNLHQFRYYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrNO2/c21-17-3-4-18(16-14-19(13-15(16)17)5-1-2-6-19)22-9-7-20(8-10-22)23-11-12-24-20/h3-4H,1-2,5-14H2.
What are the key properties of 8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 392.34 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 90137526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).