N-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride

C5H6BrClN2 — CID 89076821

IUPACN-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride
SMILESC/N=C/C(Br)=C\N=C\Cl
InChIInChI=1S/C5H6BrClN2/c1-8-2-5(6)3-9-4-7/h2-4H,1H3/b5-3+,8-2+,9-4+
InChIKeyBJNSSMMXTVCMDL-RNWNYOGOSA-N
MW209.47 g/mol
LogP2.19
Rot. Bonds2

About N-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride

N-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride (PubChem CID 89076821) has the molecular formula C5H6BrClN2 and a molecular weight of 209.47 g/mol. Its IUPAC name is N-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride.

Molecular Properties

Compound NameN-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride
PubChem CID89076821
Molecular FormulaC5H6BrClN2
Molecular Weight209.47 g/mol
Exact Mass207.94
IUPAC NameN-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride
SMILESC/N=C/C(Br)=C\N=C\Cl
InChIInChI=1S/C5H6BrClN2/c1-8-2-5(6)3-9-4-7/h2-4H,1H3/b5-3+,8-2+,9-4+
InChIKeyBJNSSMMXTVCMDL-RNWNYOGOSA-N
XLogP2.19
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride?
The IUPAC name of N-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride (CID 89076821) is N-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride.
What is the SMILES notation for N-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride?
The canonical SMILES for N-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride is C/N=C/C(Br)=C\N=C\Cl.
What is the InChIKey of N-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride?
The InChIKey is BJNSSMMXTVCMDL-RNWNYOGOSA-N. The full InChI is InChI=1S/C5H6BrClN2/c1-8-2-5(6)3-9-4-7/h2-4H,1H3/b5-3+,8-2+,9-4+.
What are the key properties of N-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride?
N-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride has a molecular weight of 209.47 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride is sourced from PubChem (CID 89076821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).