[2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone

C16H20BrNO2 — CID 106894223

IUPAC[2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESCC1COC(CBr)CN1C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H20BrNO2/c1-11-10-20-15(8-17)9-18(11)16(19)14-6-12-4-2-3-5-13(12)7-14/h2-5,11,14-15H,6-10H2,1H3
InChIKeyIMMLQBBSZLBWCD-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.41
Rot. Bonds2

About [2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone

[2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone (PubChem CID 106894223) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is [2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
PubChem CID106894223
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC Name[2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESCC1COC(CBr)CN1C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H20BrNO2/c1-11-10-20-15(8-17)9-18(11)16(19)14-6-12-4-2-3-5-13(12)7-14/h2-5,11,14-15H,6-10H2,1H3
InChIKeyIMMLQBBSZLBWCD-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone?
The IUPAC name of [2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone (CID 106894223) is [2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone.
What is the SMILES notation for [2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone?
The canonical SMILES for [2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone is CC1COC(CBr)CN1C(=O)C1Cc2ccccc2C1.
What is the InChIKey of [2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone?
The InChIKey is IMMLQBBSZLBWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-11-10-20-15(8-17)9-18(11)16(19)14-6-12-4-2-3-5-13(12)7-14/h2-5,11,14-15H,6-10H2,1H3.
What are the key properties of [2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone?
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone has a molecular weight of 338.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone is sourced from PubChem (CID 106894223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).