N-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide

C5H7BrN2 — CID 130222957

IUPACN-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide
SMILES[H]/N=C/C=C\N=C(/C)Br
InChIInChI=1S/C5H7BrN2/c1-5(6)8-4-2-3-7/h2-4,7H,1H3/b4-2-,7-3+,8-5+
InChIKeyAQAUZBPBHCVCLH-HNHUWSBWSA-N
MW175.03 g/mol
LogP1.96
Rot. Bonds2

About N-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide

N-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide (PubChem CID 130222957) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is N-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide.

Molecular Properties

Compound NameN-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide
PubChem CID130222957
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC NameN-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide
SMILES[H]/N=C/C=C\N=C(/C)Br
InChIInChI=1S/C5H7BrN2/c1-5(6)8-4-2-3-7/h2-4,7H,1H3/b4-2-,7-3+,8-5+
InChIKeyAQAUZBPBHCVCLH-HNHUWSBWSA-N
XLogP1.96
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-iminoprop-1-enyl]ethanimidoyl bromide?
The IUPAC name of N-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide (CID 130222957) is N-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide.
What is the SMILES notation for N-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide?
The canonical SMILES for N-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide is [H]/N=C/C=C\N=C(/C)Br.
What is the InChIKey of N-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide?
The InChIKey is AQAUZBPBHCVCLH-HNHUWSBWSA-N. The full InChI is InChI=1S/C5H7BrN2/c1-5(6)8-4-2-3-7/h2-4,7H,1H3/b4-2-,7-3+,8-5+.
What are the key properties of N-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide?
N-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide has a molecular weight of 175.03 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide is sourced from PubChem (CID 130222957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).