(3-amino-2-bromoprop-2-enylidene)urea

C4H6BrN3O — CID 76736189

IUPAC(3-amino-2-bromoprop-2-enylidene)urea
SMILESNC=C(Br)C=NC(N)=O
InChIInChI=1S/C4H6BrN3O/c5-3(1-6)2-8-4(7)9/h1-2H,6H2,(H2,7,9)
InChIKeyKJAUGFAXWXLMCH-UHFFFAOYSA-N
MW192.02 g/mol
LogP0.33
Rot. Bonds1

About (3-amino-2-bromoprop-2-enylidene)urea

(3-amino-2-bromoprop-2-enylidene)urea (PubChem CID 76736189) has the molecular formula C4H6BrN3O and a molecular weight of 192.02 g/mol. Its IUPAC name is (3-amino-2-bromoprop-2-enylidene)urea.

Molecular Properties

Compound Name(3-amino-2-bromoprop-2-enylidene)urea
PubChem CID76736189
Molecular FormulaC4H6BrN3O
Molecular Weight192.02 g/mol
Exact Mass190.97
IUPAC Name(3-amino-2-bromoprop-2-enylidene)urea
SMILESNC=C(Br)C=NC(N)=O
InChIInChI=1S/C4H6BrN3O/c5-3(1-6)2-8-4(7)9/h1-2H,6H2,(H2,7,9)
InChIKeyKJAUGFAXWXLMCH-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bromoprop-2-enylidene)urea?
The IUPAC name of (3-amino-2-bromoprop-2-enylidene)urea (CID 76736189) is (3-amino-2-bromoprop-2-enylidene)urea.
What is the SMILES notation for (3-amino-2-bromoprop-2-enylidene)urea?
The canonical SMILES for (3-amino-2-bromoprop-2-enylidene)urea is NC=C(Br)C=NC(N)=O.
What is the InChIKey of (3-amino-2-bromoprop-2-enylidene)urea?
The InChIKey is KJAUGFAXWXLMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrN3O/c5-3(1-6)2-8-4(7)9/h1-2H,6H2,(H2,7,9).
What are the key properties of (3-amino-2-bromoprop-2-enylidene)urea?
(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 (3-amino-2-bromoprop-2-enylidene)urea is sourced from PubChem (CID 76736189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).