[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone

C15H18ClNO4 — CID 81213695

IUPAC[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
SMILESCC1COC(CCl)CN1C(=O)c1cccc2c1OCCO2
InChIInChI=1S/C15H18ClNO4/c1-10-9-21-11(7-16)8-17(10)15(18)12-3-2-4-13-14(12)20-6-5-19-13/h2-4,10-11H,5-9H2,1H3
InChIKeyONEHQILCNSQKNE-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.93
Rot. Bonds2

About [2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone (PubChem CID 81213695) has the molecular formula C15H18ClNO4 and a molecular weight of 311.77 g/mol. Its IUPAC name is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
PubChem CID81213695
Molecular FormulaC15H18ClNO4
Molecular Weight311.77 g/mol
Exact Mass311.09
IUPAC Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
SMILESCC1COC(CCl)CN1C(=O)c1cccc2c1OCCO2
InChIInChI=1S/C15H18ClNO4/c1-10-9-21-11(7-16)8-17(10)15(18)12-3-2-4-13-14(12)20-6-5-19-13/h2-4,10-11H,5-9H2,1H3
InChIKeyONEHQILCNSQKNE-UHFFFAOYSA-N
XLogP1.93
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone?
The IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone (CID 81213695) is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone?
The canonical SMILES for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone is CC1COC(CCl)CN1C(=O)c1cccc2c1OCCO2.
What is the InChIKey of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone?
The InChIKey is ONEHQILCNSQKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-10-9-21-11(7-16)8-17(10)15(18)12-3-2-4-13-14(12)20-6-5-19-13/h2-4,10-11H,5-9H2,1H3.
What are the key properties of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone?
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone has a molecular weight of 311.77 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone is sourced from PubChem (CID 81213695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).