5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine

C14H12BrNO2 — CID 86213594

IUPAC5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine
SMILESCON=C1CCc2cc(-c3occc3Br)ccc21
InChIInChI=1S/C14H12BrNO2/c1-17-16-13-5-3-9-8-10(2-4-11(9)13)14-12(15)6-7-18-14/h2,4,6-8H,3,5H2,1H3
InChIKeyMJEWXEOOCFDGQM-UHFFFAOYSA-N
MW306.16 g/mol
LogP4.01
Rot. Bonds2

About 5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine

5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine (PubChem CID 86213594) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine.

Molecular Properties

Compound Name5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine
PubChem CID86213594
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine
SMILESCON=C1CCc2cc(-c3occc3Br)ccc21
InChIInChI=1S/C14H12BrNO2/c1-17-16-13-5-3-9-8-10(2-4-11(9)13)14-12(15)6-7-18-14/h2,4,6-8H,3,5H2,1H3
InChIKeyMJEWXEOOCFDGQM-UHFFFAOYSA-N
XLogP4.01
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine?
The IUPAC name of 5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine (CID 86213594) is 5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine.
What is the SMILES notation for 5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine?
The canonical SMILES for 5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine is CON=C1CCc2cc(-c3occc3Br)ccc21.
What is the InChIKey of 5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine?
The InChIKey is MJEWXEOOCFDGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-17-16-13-5-3-9-8-10(2-4-11(9)13)14-12(15)6-7-18-14/h2,4,6-8H,3,5H2,1H3.
What are the key properties of 5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine?
5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine has a molecular weight of 306.16 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine is sourced from PubChem (CID 86213594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).