(Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane

C9H15Br2N — CID 164594637

IUPAC(Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane
SMILESC=C(Br)/C=N\C(Br)=C/C.CCC
InChIInChI=1S/C6H7Br2N.C3H8/c1-3-6(8)9-4-5(2)7;1-3-2/h3-4H,2H2,1H3;3H2,1-2H3/b6-3-,9-4-;
InChIKeyFBFSJMUSZHOUOB-RWAZRYEOSA-N
MW297.03 g/mol
LogP4.64
Rot. Bonds2

About (Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane

(Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane (PubChem CID 164594637) has the molecular formula C9H15Br2N and a molecular weight of 297.03 g/mol. Its IUPAC name is (Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane.

Molecular Properties

Compound Name(Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane
PubChem CID164594637
Molecular FormulaC9H15Br2N
Molecular Weight297.03 g/mol
Exact Mass294.96
IUPAC Name(Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane
SMILESC=C(Br)/C=N\C(Br)=C/C.CCC
InChIInChI=1S/C6H7Br2N.C3H8/c1-3-6(8)9-4-5(2)7;1-3-2/h3-4H,2H2,1H3;3H2,1-2H3/b6-3-,9-4-;
InChIKeyFBFSJMUSZHOUOB-RWAZRYEOSA-N
XLogP4.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.03
LogP ≤ 54.64
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'}

Analyze (Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane?
The IUPAC name of (Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane (CID 164594637) is (Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane.
What is the SMILES notation for (Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane?
The canonical SMILES for (Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane is C=C(Br)/C=N\C(Br)=C/C.CCC.
What is the InChIKey of (Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane?
The InChIKey is FBFSJMUSZHOUOB-RWAZRYEOSA-N. The full InChI is InChI=1S/C6H7Br2N.C3H8/c1-3-6(8)9-4-5(2)7;1-3-2/h3-4H,2H2,1H3;3H2,1-2H3/b6-3-,9-4-;.
What are the key properties of (Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane?
(Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane has a molecular weight of 297.03 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane is sourced from PubChem (CID 164594637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).