N-[(Z)-3-bromobut-1-enyl]ethanimine

C6H10BrN — CID 126690442

IUPACN-[(Z)-3-bromobut-1-enyl]ethanimine
SMILESC/C=N/C=C\C(C)Br
InChIInChI=1S/C6H10BrN/c1-3-8-5-4-6(2)7/h3-6H,1-2H3/b5-4-,8-3+
InChIKeyZPMIFCPPFAECGN-UEQFWHKLSA-N
MW176.06 g/mol
LogP2.37
Rot. Bonds2

About N-[(Z)-3-bromobut-1-enyl]ethanimine

N-[(Z)-3-bromobut-1-enyl]ethanimine (PubChem CID 126690442) has the molecular formula C6H10BrN and a molecular weight of 176.06 g/mol. Its IUPAC name is N-[(Z)-3-bromobut-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-3-bromobut-1-enyl]ethanimine
PubChem CID126690442
Molecular FormulaC6H10BrN
Molecular Weight176.06 g/mol
Exact Mass175.00
IUPAC NameN-[(Z)-3-bromobut-1-enyl]ethanimine
SMILESC/C=N/C=C\C(C)Br
InChIInChI=1S/C6H10BrN/c1-3-8-5-4-6(2)7/h3-6H,1-2H3/b5-4-,8-3+
InChIKeyZPMIFCPPFAECGN-UEQFWHKLSA-N
XLogP2.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-bromobut-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-3-bromobut-1-enyl]ethanimine (CID 126690442) is N-[(Z)-3-bromobut-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-3-bromobut-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-3-bromobut-1-enyl]ethanimine is C/C=N/C=C\C(C)Br.
What is the InChIKey of N-[(Z)-3-bromobut-1-enyl]ethanimine?
The InChIKey is ZPMIFCPPFAECGN-UEQFWHKLSA-N. The full InChI is InChI=1S/C6H10BrN/c1-3-8-5-4-6(2)7/h3-6H,1-2H3/b5-4-,8-3+.
What are the key properties of N-[(Z)-3-bromobut-1-enyl]ethanimine?
N-[(Z)-3-bromobut-1-enyl]ethanimine has a molecular weight of 176.06 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-bromobut-1-enyl]ethanimine is sourced from PubChem (CID 126690442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).