2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione

C8H7BrN2O2 — CID 11064594

IUPAC2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
SMILESO=C1CCNC(=O)c2[nH]c(Br)cc21
InChIInChI=1S/C8H7BrN2O2/c9-6-3-4-5(12)1-2-10-8(13)7(4)11-6/h3,11H,1-2H2,(H,10,13)
InChIKeyINYSELGLAAADNH-UHFFFAOYSA-N
MW243.06 g/mol
LogP1.09
Rot. Bonds

About 2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione

2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione (PubChem CID 11064594) has the molecular formula C8H7BrN2O2 and a molecular weight of 243.06 g/mol. Its IUPAC name is 2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione.

Molecular Properties

Compound Name2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
PubChem CID11064594
Molecular FormulaC8H7BrN2O2
Molecular Weight243.06 g/mol
Exact Mass241.97
IUPAC Name2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
SMILESO=C1CCNC(=O)c2[nH]c(Br)cc21
InChIInChI=1S/C8H7BrN2O2/c9-6-3-4-5(12)1-2-10-8(13)7(4)11-6/h3,11H,1-2H2,(H,10,13)
InChIKeyINYSELGLAAADNH-UHFFFAOYSA-N
XLogP1.09
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione?
The IUPAC name of 2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione (CID 11064594) is 2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione.
What is the SMILES notation for 2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione?
The canonical SMILES for 2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione is O=C1CCNC(=O)c2[nH]c(Br)cc21.
What is the InChIKey of 2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione?
The InChIKey is INYSELGLAAADNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2/c9-6-3-4-5(12)1-2-10-8(13)7(4)11-6/h3,11H,1-2H2,(H,10,13).
What are the key properties of 2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione?
2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione has a molecular weight of 243.06 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione is sourced from PubChem (CID 11064594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).