(Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine

C12H9BrN2O — CID 54610300

IUPAC(Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine
SMILESBrc1cccc(/C=N\N=C\c2ccco2)c1
InChIInChI=1S/C12H9BrN2O/c13-11-4-1-3-10(7-11)8-14-15-9-12-5-2-6-16-12/h1-9H/b14-8-,15-9+
InChIKeyCOGCHNSKKKYONQ-DJJIWSAGSA-N
MW277.12 g/mol
LogP3.50
Rot. Bonds3

About (Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine

(Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine (PubChem CID 54610300) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is (Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine.

Molecular Properties

Compound Name(Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine
PubChem CID54610300
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name(Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine
SMILESBrc1cccc(/C=N\N=C\c2ccco2)c1
InChIInChI=1S/C12H9BrN2O/c13-11-4-1-3-10(7-11)8-14-15-9-12-5-2-6-16-12/h1-9H/b14-8-,15-9+
InChIKeyCOGCHNSKKKYONQ-DJJIWSAGSA-N
XLogP3.50
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.50
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'}

Analyze (Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanimine
CID 46707076
4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol
CID 135607691
(E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine
CID 54606337
(E,Z)-N-[(E)-furan-2-ylmethylideneamino]-2-methyl-3-phenylprop-2-en-1-imine
CID 54606331
2-[(Z)-[(E)-furan-2-ylmethylidenehydrazinylidene]methyl]phenol
CID 135478746
1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
(E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine
CID 92523787
1-(furan-2-yl)-N-oxidomethanimine
CID 135527449
5-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 767297
4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 722431
1-(furan-2-yl)-N-[(E)-prop-1-enyl]methanimine
CID 13128411
N-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6862104

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine?
The IUPAC name of (Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine (CID 54610300) is (Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine.
What is the SMILES notation for (Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine?
The canonical SMILES for (Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine is Brc1cccc(/C=N\N=C\c2ccco2)c1.
What is the InChIKey of (Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine?
The InChIKey is COGCHNSKKKYONQ-DJJIWSAGSA-N. The full InChI is InChI=1S/C12H9BrN2O/c13-11-4-1-3-10(7-11)8-14-15-9-12-5-2-6-16-12/h1-9H/b14-8-,15-9+.
What are the key properties of (Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine?
(Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine has a molecular weight of 277.12 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine is sourced from PubChem (CID 54610300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).