5'-bromospiro[cyclopropane-1,3'-indole]

C10H8BrN — CID 154287958

IUPAC5'-bromospiro[cyclopropane-1,3'-indole]
SMILESBrc1ccc2c(c1)C1(C=N2)CC1
InChIInChI=1S/C10H8BrN/c11-7-1-2-9-8(5-7)10(3-4-10)6-12-9/h1-2,5-6H,3-4H2
InChIKeyNYOBKCKKYWQODG-UHFFFAOYSA-N
MW222.09 g/mol
LogP3.20
Rot. Bonds

About 5'-bromospiro[cyclopropane-1,3'-indole]

5'-bromospiro[cyclopropane-1,3'-indole] (PubChem CID 154287958) has the molecular formula C10H8BrN and a molecular weight of 222.09 g/mol. Its IUPAC name is 5'-bromospiro[cyclopropane-1,3'-indole].

Molecular Properties

Compound Name5'-bromospiro[cyclopropane-1,3'-indole]
PubChem CID154287958
Molecular FormulaC10H8BrN
Molecular Weight222.09 g/mol
Exact Mass220.98
IUPAC Name5'-bromospiro[cyclopropane-1,3'-indole]
SMILESBrc1ccc2c(c1)C1(C=N2)CC1
InChIInChI=1S/C10H8BrN/c11-7-1-2-9-8(5-7)10(3-4-10)6-12-9/h1-2,5-6H,3-4H2
InChIKeyNYOBKCKKYWQODG-UHFFFAOYSA-N
XLogP3.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67414167

Frequently Asked Questions

What is the IUPAC name of 5'-bromospiro[cyclopropane-1,3'-indole]?
The IUPAC name of 5'-bromospiro[cyclopropane-1,3'-indole] (CID 154287958) is 5'-bromospiro[cyclopropane-1,3'-indole].
What is the SMILES notation for 5'-bromospiro[cyclopropane-1,3'-indole]?
The canonical SMILES for 5'-bromospiro[cyclopropane-1,3'-indole] is Brc1ccc2c(c1)C1(C=N2)CC1.
What is the InChIKey of 5'-bromospiro[cyclopropane-1,3'-indole]?
The InChIKey is NYOBKCKKYWQODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN/c11-7-1-2-9-8(5-7)10(3-4-10)6-12-9/h1-2,5-6H,3-4H2.
What are the key properties of 5'-bromospiro[cyclopropane-1,3'-indole]?
5'-bromospiro[cyclopropane-1,3'-indole] has a molecular weight of 222.09 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromospiro[cyclopropane-1,3'-indole] is sourced from PubChem (CID 154287958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).