benzene;prop-2-enamide;hydrobromide

C9H12BrNO — CID 174943070

IUPACbenzene;prop-2-enamide;hydrobromide
SMILESBr.C=CC(N)=O.c1ccccc1
InChIInChI=1S/C6H6.C3H5NO.BrH/c1-2-4-6-5-3-1;1-2-3(4)5;/h1-6H;2H,1H2,(H2,4,5);1H
InChIKeyHYLMXZOXRCGUJH-UHFFFAOYSA-N
MW230.11 g/mol
LogP1.92
Rot. Bonds1

About benzene;prop-2-enamide;hydrobromide

benzene;prop-2-enamide;hydrobromide (PubChem CID 174943070) has the molecular formula C9H12BrNO and a molecular weight of 230.11 g/mol. Its IUPAC name is benzene;prop-2-enamide;hydrobromide.

Molecular Properties

Compound Namebenzene;prop-2-enamide;hydrobromide
PubChem CID174943070
Molecular FormulaC9H12BrNO
Molecular Weight230.11 g/mol
Exact Mass229.01
IUPAC Namebenzene;prop-2-enamide;hydrobromide
SMILESBr.C=CC(N)=O.c1ccccc1
InChIInChI=1S/C6H6.C3H5NO.BrH/c1-2-4-6-5-3-1;1-2-3(4)5;/h1-6H;2H,1H2,(H2,4,5);1H
InChIKeyHYLMXZOXRCGUJH-UHFFFAOYSA-N
XLogP1.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethene-1,1-diol;prop-2-enamide
CID 174658864
CID 118976628
CID 118976628
prop-2-enamide iodide
CID 19796963
prop-2-enamide;ruthenium
CID 90254548
CID 175387410
CID 175387410
molecular hydrogen;prop-2-enamide
CID 156651584
magnesium;prop-2-enamide;dihydroxide
CID 175298952
potassium;prop-2-enamide;chloride
CID 161245795
(E)-but-2-enedioic acid;bis(prop-2-enamide)
CID 174486648
phthalic acid;prop-2-enamide
CID 89485931
methanamine;prop-2-enamide;hydrate
CID 174696935
acetamide;prop-2-enamide
CID 158566181

Frequently Asked Questions

What is the IUPAC name of benzene;prop-2-enamide;hydrobromide?
The IUPAC name of benzene;prop-2-enamide;hydrobromide (CID 174943070) is benzene;prop-2-enamide;hydrobromide.
What is the SMILES notation for benzene;prop-2-enamide;hydrobromide?
The canonical SMILES for benzene;prop-2-enamide;hydrobromide is Br.C=CC(N)=O.c1ccccc1.
What is the InChIKey of benzene;prop-2-enamide;hydrobromide?
The InChIKey is HYLMXZOXRCGUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H5NO.BrH/c1-2-4-6-5-3-1;1-2-3(4)5;/h1-6H;2H,1H2,(H2,4,5);1H.
What are the key properties of benzene;prop-2-enamide;hydrobromide?
benzene;prop-2-enamide;hydrobromide has a molecular weight of 230.11 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;prop-2-enamide;hydrobromide is sourced from PubChem (CID 174943070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).