[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone

C13H22BrNO2 — CID 107184501

IUPAC[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone
SMILESCC1CN(C(=O)C2CCCC2C)CC(CBr)O1
InChIInChI=1S/C13H22BrNO2/c1-9-4-3-5-12(9)13(16)15-7-10(2)17-11(6-14)8-15/h9-12H,3-8H2,1-2H3
InChIKeyFVKXKWNAZYAFKK-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.43
Rot. Bonds2

About [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone (PubChem CID 107184501) has the molecular formula C13H22BrNO2 and a molecular weight of 304.23 g/mol. Its IUPAC name is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone
PubChem CID107184501
Molecular FormulaC13H22BrNO2
Molecular Weight304.23 g/mol
Exact Mass303.08
IUPAC Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone
SMILESCC1CN(C(=O)C2CCCC2C)CC(CBr)O1
InChIInChI=1S/C13H22BrNO2/c1-9-4-3-5-12(9)13(16)15-7-10(2)17-11(6-14)8-15/h9-12H,3-8H2,1-2H3
InChIKeyFVKXKWNAZYAFKK-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.43
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)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone?
The IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone (CID 107184501) is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone.
What is the SMILES notation for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone?
The canonical SMILES for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone is CC1CN(C(=O)C2CCCC2C)CC(CBr)O1.
What is the InChIKey of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone?
The InChIKey is FVKXKWNAZYAFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO2/c1-9-4-3-5-12(9)13(16)15-7-10(2)17-11(6-14)8-15/h9-12H,3-8H2,1-2H3.
What are the key properties of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone?
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone has a molecular weight of 304.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107184501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).