(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide chloride

C14H19BrClN2O3- — CID 45107133

IUPAC(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide chloride
SMILESO=C(/C=C/c1ccc(Br)o1)NCCCN1CCOCC1.[Cl-]
InChIInChI=1S/C14H19BrN2O3.ClH/c15-13-4-2-12(20-13)3-5-14(18)16-6-1-7-17-8-10-19-11-9-17;/h2-5H,1,6-11H2,(H,16,18);1H/p-1/b5-3+;
InChIKeyZWAUIBTWBQNTDT-WGCWOXMQSA-M
MW378.67 g/mol
LogP-1.10
Rot. Bonds6

About (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide chloride

(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide chloride (PubChem CID 45107133) has the molecular formula C14H19BrClN2O3- and a molecular weight of 378.67 g/mol. Its IUPAC name is (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide chloride.

Molecular Properties

Compound Name(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide chloride
PubChem CID45107133
Molecular FormulaC14H19BrClN2O3-
Molecular Weight378.67 g/mol
Exact Mass377.03
IUPAC Name(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide chloride
SMILESO=C(/C=C/c1ccc(Br)o1)NCCCN1CCOCC1.[Cl-]
InChIInChI=1S/C14H19BrN2O3.ClH/c15-13-4-2-12(20-13)3-5-14(18)16-6-1-7-17-8-10-19-11-9-17;/h2-5H,1,6-11H2,(H,16,18);1H/p-1/b5-3+;
InChIKeyZWAUIBTWBQNTDT-WGCWOXMQSA-M
XLogP-1.10
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.67
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide chloride?
The IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide chloride (CID 45107133) is (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide chloride.
What is the SMILES notation for (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide chloride?
The canonical SMILES for (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide chloride is O=C(/C=C/c1ccc(Br)o1)NCCCN1CCOCC1.[Cl-].
What is the InChIKey of (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide chloride?
The InChIKey is ZWAUIBTWBQNTDT-WGCWOXMQSA-M. The full InChI is InChI=1S/C14H19BrN2O3.ClH/c15-13-4-2-12(20-13)3-5-14(18)16-6-1-7-17-8-10-19-11-9-17;/h2-5H,1,6-11H2,(H,16,18);1H/p-1/b5-3+;.
What are the key properties of (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide chloride?
(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide chloride has a molecular weight of 378.67 g/mol, XLogP of -1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide chloride is sourced from PubChem (CID 45107133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).