8-bromo-5-methyl-5-azaspiro[2.6]nona-6,8-diene

C9H12BrN — CID 155030338

IUPAC8-bromo-5-methyl-5-azaspiro[2.6]nona-6,8-diene
SMILESCN1C=CC(Br)=CC2(CC2)C1
InChIInChI=1S/C9H12BrN/c1-11-5-2-8(10)6-9(7-11)3-4-9/h2,5-6H,3-4,7H2,1H3
InChIKeyUNTWZQFEBAWDFV-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.50
Rot. Bonds

About 8-bromo-5-methyl-5-azaspiro[2.6]nona-6,8-diene

8-bromo-5-methyl-5-azaspiro[2.6]nona-6,8-diene (PubChem CID 155030338) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 8-bromo-5-methyl-5-azaspiro[2.6]nona-6,8-diene.

Molecular Properties

Compound Name8-bromo-5-methyl-5-azaspiro[2.6]nona-6,8-diene
PubChem CID155030338
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name8-bromo-5-methyl-5-azaspiro[2.6]nona-6,8-diene
SMILESCN1C=CC(Br)=CC2(CC2)C1
InChIInChI=1S/C9H12BrN/c1-11-5-2-8(10)6-9(7-11)3-4-9/h2,5-6H,3-4,7H2,1H3
InChIKeyUNTWZQFEBAWDFV-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methyl-5-azaspiro[2.6]nona-6,8-diene?
The IUPAC name of 8-bromo-5-methyl-5-azaspiro[2.6]nona-6,8-diene (CID 155030338) is 8-bromo-5-methyl-5-azaspiro[2.6]nona-6,8-diene.
What is the SMILES notation for 8-bromo-5-methyl-5-azaspiro[2.6]nona-6,8-diene?
The canonical SMILES for 8-bromo-5-methyl-5-azaspiro[2.6]nona-6,8-diene is CN1C=CC(Br)=CC2(CC2)C1.
What is the InChIKey of 8-bromo-5-methyl-5-azaspiro[2.6]nona-6,8-diene?
The InChIKey is UNTWZQFEBAWDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-11-5-2-8(10)6-9(7-11)3-4-9/h2,5-6H,3-4,7H2,1H3.
What are the key properties of 8-bromo-5-methyl-5-azaspiro[2.6]nona-6,8-diene?
8-bromo-5-methyl-5-azaspiro[2.6]nona-6,8-diene has a molecular weight of 214.11 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methyl-5-azaspiro[2.6]nona-6,8-diene is sourced from PubChem (CID 155030338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).