ethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide

C7H15BrNO2+ — CID 126957277

IUPACethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide
SMILESBr.C=CCOC(=O)C[NH2+]CC
InChIInChI=1S/C7H13NO2.BrH/c1-3-5-10-7(9)6-8-4-2;/h3,8H,1,4-6H2,2H3;1H/p+1
InChIKeyDZZFJWCXVYYDCS-UHFFFAOYSA-O
MW225.11 g/mol
LogP-0.12
Rot. Bonds5

About ethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide

ethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide (PubChem CID 126957277) has the molecular formula C7H15BrNO2+ and a molecular weight of 225.11 g/mol. Its IUPAC name is ethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide.

Molecular Properties

Compound Nameethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide
PubChem CID126957277
Molecular FormulaC7H15BrNO2+
Molecular Weight225.11 g/mol
Exact Mass224.03
IUPAC Nameethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide
SMILESBr.C=CCOC(=O)C[NH2+]CC
InChIInChI=1S/C7H13NO2.BrH/c1-3-5-10-7(9)6-8-4-2;/h3,8H,1,4-6H2,2H3;1H/p+1
InChIKeyDZZFJWCXVYYDCS-UHFFFAOYSA-O
XLogP-0.12
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.11
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide?
The IUPAC name of ethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide (CID 126957277) is ethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide.
What is the SMILES notation for ethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide?
The canonical SMILES for ethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide is Br.C=CCOC(=O)C[NH2+]CC.
What is the InChIKey of ethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide?
The InChIKey is DZZFJWCXVYYDCS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO2.BrH/c1-3-5-10-7(9)6-8-4-2;/h3,8H,1,4-6H2,2H3;1H/p+1.
What are the key properties of ethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide?
ethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide has a molecular weight of 225.11 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide is sourced from PubChem (CID 126957277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).