(E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea

C4H6BrN3O — CID 58368919

IUPAC(E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea
SMILESN/C=C(Br)\C=N\C(N)=O
InChIInChI=1S/C4H6BrN3O/c5-3(1-6)2-8-4(7)9/h1-2H,6H2,(H2,7,9)/b3-1+,8-2+
InChIKeyKJAUGFAXWXLMCH-OWEXKTHJSA-N
MW192.02 g/mol
LogP0.33
Rot. Bonds1

About (E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea

(E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea (PubChem CID 58368919) has the molecular formula C4H6BrN3O and a molecular weight of 192.02 g/mol. Its IUPAC name is (E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea.

Molecular Properties

Compound Name(E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea
PubChem CID58368919
Molecular FormulaC4H6BrN3O
Molecular Weight192.02 g/mol
Exact Mass190.97
IUPAC Name(E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea
SMILESN/C=C(Br)\C=N\C(N)=O
InChIInChI=1S/C4H6BrN3O/c5-3(1-6)2-8-4(7)9/h1-2H,6H2,(H2,7,9)/b3-1+,8-2+
InChIKeyKJAUGFAXWXLMCH-OWEXKTHJSA-N
XLogP0.33
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.02
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2-bromoprop-2-enylidene)urea
CID 76736189
N-(3-amino-2-bromoprop-2-enylidene)-2,2,2-trifluoroacetamide
CID 162566915
(E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine
CID 89209949
2-oxopropylideneurea
CID 154176026
(E)-[(2E)-2-carbamoyliminoethylidene]urea
CID 11286522
2-aminoethylideneurea
CID 123400317
(E)-2-oxoethylideneurea
CID 15859944
methyl N-carbamoylmethanimidate
CID 57288886
(2-acetyl-4,4,4-trifluoro-3-hydroxybut-2-enylidene)urea
CID 137200138
ethylideneurea;sulfurous acid
CID 174973219
2-(oxiran-2-ylmethyl)prop-2-enylideneurea
CID 174335630
carbamic acid;carbonyl dibromide
CID 161235420

Frequently Asked Questions

What is the IUPAC name of (E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea?
The IUPAC name of (E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea (CID 58368919) is (E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea.
What is the SMILES notation for (E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea?
The canonical SMILES for (E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea is N/C=C(Br)\C=N\C(N)=O.
What is the InChIKey of (E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea?
The InChIKey is KJAUGFAXWXLMCH-OWEXKTHJSA-N. The full InChI is InChI=1S/C4H6BrN3O/c5-3(1-6)2-8-4(7)9/h1-2H,6H2,(H2,7,9)/b3-1+,8-2+.
What are the key properties of (E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea?
(E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea has a molecular weight of 192.02 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea is sourced from PubChem (CID 58368919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).