6-bromo-2,3-dihydroinden-1-imine

C9H8BrN — CID 89235880

IUPAC6-bromo-2,3-dihydroinden-1-imine
SMILES[H]/N=C1\CCc2ccc(Br)cc21
InChIInChI=1S/C9H8BrN/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,11H,2,4H2/b11-9+
InChIKeyKTWXQVMNFAMBFZ-PKNBQFBNSA-N
MW210.07 g/mol
LogP2.76
Rot. Bonds

About 6-bromo-2,3-dihydroinden-1-imine

6-bromo-2,3-dihydroinden-1-imine (PubChem CID 89235880) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 6-bromo-2,3-dihydroinden-1-imine.

Molecular Properties

Compound Name6-bromo-2,3-dihydroinden-1-imine
PubChem CID89235880
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name6-bromo-2,3-dihydroinden-1-imine
SMILES[H]/N=C1\CCc2ccc(Br)cc21
InChIInChI=1S/C9H8BrN/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,11H,2,4H2/b11-9+
InChIKeyKTWXQVMNFAMBFZ-PKNBQFBNSA-N
XLogP2.76
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydroinden-1-imine?
The IUPAC name of 6-bromo-2,3-dihydroinden-1-imine (CID 89235880) is 6-bromo-2,3-dihydroinden-1-imine.
What is the SMILES notation for 6-bromo-2,3-dihydroinden-1-imine?
The canonical SMILES for 6-bromo-2,3-dihydroinden-1-imine is [H]/N=C1\CCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2,3-dihydroinden-1-imine?
The InChIKey is KTWXQVMNFAMBFZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H8BrN/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,11H,2,4H2/b11-9+.
What are the key properties of 6-bromo-2,3-dihydroinden-1-imine?
6-bromo-2,3-dihydroinden-1-imine has a molecular weight of 210.07 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydroinden-1-imine is sourced from PubChem (CID 89235880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).