8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one

C15H13BrN2O — CID 146211554

IUPAC8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one
SMILESO=C1Nc2cnc3ccc(Br)cc3c2C12CCCC2
InChIInChI=1S/C15H13BrN2O/c16-9-3-4-11-10(7-9)13-12(8-17-11)18-14(19)15(13)5-1-2-6-15/h3-4,7-8H,1-2,5-6H2,(H,18,19)
InChIKeyDMYQJZRYHZKKJH-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.76
Rot. Bonds

About 8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one

8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one (PubChem CID 146211554) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one
PubChem CID146211554
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one
SMILESO=C1Nc2cnc3ccc(Br)cc3c2C12CCCC2
InChIInChI=1S/C15H13BrN2O/c16-9-3-4-11-10(7-9)13-12(8-17-11)18-14(19)15(13)5-1-2-6-15/h3-4,7-8H,1-2,5-6H2,(H,18,19)
InChIKeyDMYQJZRYHZKKJH-UHFFFAOYSA-N
XLogP3.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one?
The IUPAC name of 8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one (CID 146211554) is 8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one.
What is the SMILES notation for 8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one?
The canonical SMILES for 8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one is O=C1Nc2cnc3ccc(Br)cc3c2C12CCCC2.
What is the InChIKey of 8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one?
The InChIKey is DMYQJZRYHZKKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c16-9-3-4-11-10(7-9)13-12(8-17-11)18-14(19)15(13)5-1-2-6-15/h3-4,7-8H,1-2,5-6H2,(H,18,19).
What are the key properties of 8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one?
8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one has a molecular weight of 317.19 g/mol, XLogP of 3.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one is sourced from PubChem (CID 146211554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).