N-[(E)-2-bromoprop-1-enyl]propan-2-imine

C6H10BrN — CID 155417555

IUPACN-[(E)-2-bromoprop-1-enyl]propan-2-imine
SMILESCC(C)=N/C=C(\C)Br
InChIInChI=1S/C6H10BrN/c1-5(2)8-4-6(3)7/h4H,1-3H3/b6-4+
InChIKeyQVACMICHAARUHE-GQCTYLIASA-N
MW176.06 g/mol
LogP2.72
Rot. Bonds1

About N-[(E)-2-bromoprop-1-enyl]propan-2-imine

N-[(E)-2-bromoprop-1-enyl]propan-2-imine (PubChem CID 155417555) has the molecular formula C6H10BrN and a molecular weight of 176.06 g/mol. Its IUPAC name is N-[(E)-2-bromoprop-1-enyl]propan-2-imine.

Molecular Properties

Compound NameN-[(E)-2-bromoprop-1-enyl]propan-2-imine
PubChem CID155417555
Molecular FormulaC6H10BrN
Molecular Weight176.06 g/mol
Exact Mass175.00
IUPAC NameN-[(E)-2-bromoprop-1-enyl]propan-2-imine
SMILESCC(C)=N/C=C(\C)Br
InChIInChI=1S/C6H10BrN/c1-5(2)8-4-6(3)7/h4H,1-3H3/b6-4+
InChIKeyQVACMICHAARUHE-GQCTYLIASA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bromoprop-1-enyl]propan-2-imine?
The IUPAC name of N-[(E)-2-bromoprop-1-enyl]propan-2-imine (CID 155417555) is N-[(E)-2-bromoprop-1-enyl]propan-2-imine.
What is the SMILES notation for N-[(E)-2-bromoprop-1-enyl]propan-2-imine?
The canonical SMILES for N-[(E)-2-bromoprop-1-enyl]propan-2-imine is CC(C)=N/C=C(\C)Br.
What is the InChIKey of N-[(E)-2-bromoprop-1-enyl]propan-2-imine?
The InChIKey is QVACMICHAARUHE-GQCTYLIASA-N. The full InChI is InChI=1S/C6H10BrN/c1-5(2)8-4-6(3)7/h4H,1-3H3/b6-4+.
What are the key properties of N-[(E)-2-bromoprop-1-enyl]propan-2-imine?
N-[(E)-2-bromoprop-1-enyl]propan-2-imine has a molecular weight of 176.06 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-bromoprop-1-enyl]propan-2-imine is sourced from PubChem (CID 155417555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).