N-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide

C6H8BrN — CID 90055039

IUPACN-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide
SMILESC=C/C(Br)=N/C=C\C
InChIInChI=1S/C6H8BrN/c1-3-5-8-6(7)4-2/h3-5H,2H2,1H3/b5-3-,8-6-
InChIKeyQPKMQTTXFRIGPI-NIOMPZRHSA-N
MW174.04 g/mol
LogP2.50
Rot. Bonds2

About N-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide

N-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide (PubChem CID 90055039) has the molecular formula C6H8BrN and a molecular weight of 174.04 g/mol. Its IUPAC name is N-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide.

Molecular Properties

Compound NameN-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide
PubChem CID90055039
Molecular FormulaC6H8BrN
Molecular Weight174.04 g/mol
Exact Mass172.98
IUPAC NameN-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide
SMILESC=C/C(Br)=N/C=C\C
InChIInChI=1S/C6H8BrN/c1-3-5-8-6(7)4-2/h3-5H,2H2,1H3/b5-3-,8-6-
InChIKeyQPKMQTTXFRIGPI-NIOMPZRHSA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.04
LogP ≤ 52.50
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-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide?
The IUPAC name of N-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide (CID 90055039) is N-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide.
What is the SMILES notation for N-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide?
The canonical SMILES for N-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide is C=C/C(Br)=N/C=C\C.
What is the InChIKey of N-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide?
The InChIKey is QPKMQTTXFRIGPI-NIOMPZRHSA-N. The full InChI is InChI=1S/C6H8BrN/c1-3-5-8-6(7)4-2/h3-5H,2H2,1H3/b5-3-,8-6-.
What are the key properties of N-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide?
N-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide has a molecular weight of 174.04 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide is sourced from PubChem (CID 90055039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).