N-[(1E)-2-bromobuta-1,3-dienyl]-N,N'-bis(ethenyl)prop-2-enimidamide

C11H13BrN2 — CID 129120834

IUPACN-[(1E)-2-bromobuta-1,3-dienyl]-N,N'-bis(ethenyl)prop-2-enimidamide
SMILESC=C/N=C(\C=C)N(C=C)/C=C(/Br)C=C
InChIInChI=1S/C11H13BrN2/c1-5-10(12)9-14(8-4)11(6-2)13-7-3/h5-9H,1-4H2/b10-9+,13-11+
InChIKeyCXIAIIIHCVFJPL-SNMPHBPQSA-N
MW253.14 g/mol
LogP3.58
Rot. Bonds5

About N-[(1E)-2-bromobuta-1,3-dienyl]-N,N'-bis(ethenyl)prop-2-enimidamide

N-[(1E)-2-bromobuta-1,3-dienyl]-N,N'-bis(ethenyl)prop-2-enimidamide (PubChem CID 129120834) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is N-[(1E)-2-bromobuta-1,3-dienyl]-N,N'-bis(ethenyl)prop-2-enimidamide.

Molecular Properties

Compound NameN-[(1E)-2-bromobuta-1,3-dienyl]-N,N'-bis(ethenyl)prop-2-enimidamide
PubChem CID129120834
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC NameN-[(1E)-2-bromobuta-1,3-dienyl]-N,N'-bis(ethenyl)prop-2-enimidamide
SMILESC=C/N=C(\C=C)N(C=C)/C=C(/Br)C=C
InChIInChI=1S/C11H13BrN2/c1-5-10(12)9-14(8-4)11(6-2)13-7-3/h5-9H,1-4H2/b10-9+,13-11+
InChIKeyCXIAIIIHCVFJPL-SNMPHBPQSA-N
XLogP3.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1E)-2-bromobuta-1,3-dienyl]-N,N'-bis(ethenyl)prop-2-enimidamide?
The IUPAC name of N-[(1E)-2-bromobuta-1,3-dienyl]-N,N'-bis(ethenyl)prop-2-enimidamide (CID 129120834) is N-[(1E)-2-bromobuta-1,3-dienyl]-N,N'-bis(ethenyl)prop-2-enimidamide.
What is the SMILES notation for N-[(1E)-2-bromobuta-1,3-dienyl]-N,N'-bis(ethenyl)prop-2-enimidamide?
The canonical SMILES for N-[(1E)-2-bromobuta-1,3-dienyl]-N,N'-bis(ethenyl)prop-2-enimidamide is C=C/N=C(\C=C)N(C=C)/C=C(/Br)C=C.
What is the InChIKey of N-[(1E)-2-bromobuta-1,3-dienyl]-N,N'-bis(ethenyl)prop-2-enimidamide?
The InChIKey is CXIAIIIHCVFJPL-SNMPHBPQSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-5-10(12)9-14(8-4)11(6-2)13-7-3/h5-9H,1-4H2/b10-9+,13-11+.
What are the key properties of N-[(1E)-2-bromobuta-1,3-dienyl]-N,N'-bis(ethenyl)prop-2-enimidamide?
N-[(1E)-2-bromobuta-1,3-dienyl]-N,N'-bis(ethenyl)prop-2-enimidamide has a molecular weight of 253.14 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-bromobuta-1,3-dienyl]-N,N'-bis(ethenyl)prop-2-enimidamide is sourced from PubChem (CID 129120834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).