7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one

C18H15BrN2O3 — CID 163258996

IUPAC7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one
SMILESO=C1NC2(CCC1N1C(=O)c3ccc(Br)c4cccc1c34)COC2
InChIInChI=1S/C18H15BrN2O3/c19-12-5-4-11-15-10(12)2-1-3-13(15)21(17(11)23)14-6-7-18(8-24-9-18)20-16(14)22/h1-5,14H,6-9H2,(H,20,22)
InChIKeyXDRWFOPBEGGWBR-UHFFFAOYSA-N
MW387.23 g/mol
LogP2.61
Rot. Bonds1

About 7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one

7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one (PubChem CID 163258996) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is 7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one.

Molecular Properties

Compound Name7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one
PubChem CID163258996
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one
SMILESO=C1NC2(CCC1N1C(=O)c3ccc(Br)c4cccc1c34)COC2
InChIInChI=1S/C18H15BrN2O3/c19-12-5-4-11-15-10(12)2-1-3-13(15)21(17(11)23)14-6-7-18(8-24-9-18)20-16(14)22/h1-5,14H,6-9H2,(H,20,22)
InChIKeyXDRWFOPBEGGWBR-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
CID 174167920
3-(2-oxo-5-sulfanylbenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 163258587
5-chloro-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
CID 174167936
5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
CID 174167904
6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione
CID 101197155
3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163259069
3-[5-[(1-chloroazetidin-3-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 169102169
3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione
CID 167009255
1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile
CID 155194697
3-(9-bromo-2-oxa-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-yl)piperidine-2,6-dione
CID 163259137
3-[5-(4-acetyl-1,4-diazepan-1-yl)-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163258445
3-[5-[methyl(2,2,2-trifluoroethyl)amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163258558

Frequently Asked Questions

What is the IUPAC name of 7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one?
The IUPAC name of 7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one (CID 163258996) is 7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one.
What is the SMILES notation for 7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one?
The canonical SMILES for 7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one is O=C1NC2(CCC1N1C(=O)c3ccc(Br)c4cccc1c34)COC2.
What is the InChIKey of 7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one?
The InChIKey is XDRWFOPBEGGWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c19-12-5-4-11-15-10(12)2-1-3-13(15)21(17(11)23)14-6-7-18(8-24-9-18)20-16(14)22/h1-5,14H,6-9H2,(H,20,22).
What are the key properties of 7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one?
7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one has a molecular weight of 387.23 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one is sourced from PubChem (CID 163258996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).