(E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide

C11H12BrNO2 — CID 6434363

IUPAC(E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)NCCO
InChIInChI=1S/C11H12BrNO2/c12-10-3-1-2-9(8-10)4-5-11(15)13-6-7-14/h1-5,8,14H,6-7H2,(H,13,15)/b5-4+
InChIKeyMKVUMUJVKGTTEA-SNAWJCMRSA-N
MW270.13 g/mol
LogP1.57
Rot. Bonds4

About (E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide

(E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 6434363) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is (E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID6434363
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name(E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)NCCO
InChIInChI=1S/C11H12BrNO2/c12-10-3-1-2-9(8-10)4-5-11(15)13-6-7-14/h1-5,8,14H,6-7H2,(H,13,15)/b5-4+
InChIKeyMKVUMUJVKGTTEA-SNAWJCMRSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide (CID 6434363) is (E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide is O=C(/C=C/c1cccc(Br)c1)NCCO.
What is the InChIKey of (E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is MKVUMUJVKGTTEA-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-10-3-1-2-9(8-10)4-5-11(15)13-6-7-14/h1-5,8,14H,6-7H2,(H,13,15)/b5-4+.
What are the key properties of (E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
(E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 270.13 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 6434363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).