(E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine

C10H10BrNO — CID 58102833

IUPAC(E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine
SMILESCO/N=C1\CCc2c(Br)cccc21
InChIInChI=1S/C10H10BrNO/c1-13-12-10-6-5-7-8(10)3-2-4-9(7)11/h2-4H,5-6H2,1H3/b12-10+
InChIKeyFHHVZNNYFVLARV-ZRDIBKRKSA-N
MW240.10 g/mol
LogP2.75
Rot. Bonds1

About (E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine

(E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine (PubChem CID 58102833) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is (E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine.

Molecular Properties

Compound Name(E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine
PubChem CID58102833
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name(E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine
SMILESCO/N=C1\CCc2c(Br)cccc21
InChIInChI=1S/C10H10BrNO/c1-13-12-10-6-5-7-8(10)3-2-4-9(7)11/h2-4H,5-6H2,1H3/b12-10+
InChIKeyFHHVZNNYFVLARV-ZRDIBKRKSA-N
XLogP2.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine?
The IUPAC name of (E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine (CID 58102833) is (E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine.
What is the SMILES notation for (E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine?
The canonical SMILES for (E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine is CO/N=C1\CCc2c(Br)cccc21.
What is the InChIKey of (E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine?
The InChIKey is FHHVZNNYFVLARV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-13-12-10-6-5-7-8(10)3-2-4-9(7)11/h2-4H,5-6H2,1H3/b12-10+.
What are the key properties of (E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine?
(E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine has a molecular weight of 240.10 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine is sourced from PubChem (CID 58102833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).