(Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine

C7H10BrN — CID 143917093

IUPAC(Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N\C(Br)=C/C
InChIInChI=1S/C7H10BrN/c1-4-7(8)9-5-6(2)3/h4-5H,2H2,1,3H3/b7-4-,9-5-
InChIKeyIGIZAYREPXHBCL-HZLSWQDRSA-N
MW188.07 g/mol
LogP2.89
Rot. Bonds2

About (Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine

(Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine (PubChem CID 143917093) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is (Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine
PubChem CID143917093
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name(Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N\C(Br)=C/C
InChIInChI=1S/C7H10BrN/c1-4-7(8)9-5-6(2)3/h4-5H,2H2,1,3H3/b7-4-,9-5-
InChIKeyIGIZAYREPXHBCL-HZLSWQDRSA-N
XLogP2.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine?
The IUPAC name of (Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine (CID 143917093) is (Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine?
The canonical SMILES for (Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine is C=C(C)/C=N\C(Br)=C/C.
What is the InChIKey of (Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine?
The InChIKey is IGIZAYREPXHBCL-HZLSWQDRSA-N. The full InChI is InChI=1S/C7H10BrN/c1-4-7(8)9-5-6(2)3/h4-5H,2H2,1,3H3/b7-4-,9-5-.
What are the key properties of (Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine?
(Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine has a molecular weight of 188.07 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine is sourced from PubChem (CID 143917093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).