(5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride

C13H16BrClN2O2 — CID 119706868

IUPAC(5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CNCCO1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C13H15BrN2O2.ClH/c14-10-1-2-11-9(7-10)3-5-16(11)13(17)12-8-15-4-6-18-12;/h1-2,7,12,15H,3-6,8H2;1H
InChIKeyJVTQZHLKKDDMDD-UHFFFAOYSA-N
MW347.64 g/mol
LogP1.75
Rot. Bonds1

About (5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride

(5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride (PubChem CID 119706868) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is (5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride
PubChem CID119706868
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC Name(5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CNCCO1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C13H15BrN2O2.ClH/c14-10-1-2-11-9(7-10)3-5-16(11)13(17)12-8-15-4-6-18-12;/h1-2,7,12,15H,3-6,8H2;1H
InChIKeyJVTQZHLKKDDMDD-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride?
The IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride (CID 119706868) is (5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride?
The canonical SMILES for (5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride is Cl.O=C(C1CNCCO1)N1CCc2cc(Br)ccc21.
What is the InChIKey of (5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride?
The InChIKey is JVTQZHLKKDDMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2.ClH/c14-10-1-2-11-9(7-10)3-5-16(11)13(17)12-8-15-4-6-18-12;/h1-2,7,12,15H,3-6,8H2;1H.
What are the key properties of (5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride?
(5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride has a molecular weight of 347.64 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119706868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).