[2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone

C11H14ClNO3 — CID 102937304

IUPAC[2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone
SMILESCC1CN(C(=O)c2ccco2)CC(CCl)O1
InChIInChI=1S/C11H14ClNO3/c1-8-6-13(7-9(5-12)16-8)11(14)10-3-2-4-15-10/h2-4,8-9H,5-7H2,1H3
InChIKeyPGLIWNRPTIBGJG-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.75
Rot. Bonds2

About [2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone

[2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone (PubChem CID 102937304) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is [2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone
PubChem CID102937304
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name[2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone
SMILESCC1CN(C(=O)c2ccco2)CC(CCl)O1
InChIInChI=1S/C11H14ClNO3/c1-8-6-13(7-9(5-12)16-8)11(14)10-3-2-4-15-10/h2-4,8-9H,5-7H2,1H3
InChIKeyPGLIWNRPTIBGJG-UHFFFAOYSA-N
XLogP1.75
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

furan-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone
CID 110707020
(5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 106690235
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4-phenylbutan-1-one
CID 102937338
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 81212054
(3-chloro-2-fluorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937575
(5-chlorofuran-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934136
[4-(chloromethyl)phenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932344
1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937282
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934747
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102937402

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone?
The IUPAC name of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone (CID 102937304) is [2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone?
The canonical SMILES for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone is CC1CN(C(=O)c2ccco2)CC(CCl)O1.
What is the InChIKey of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone?
The InChIKey is PGLIWNRPTIBGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-8-6-13(7-9(5-12)16-8)11(14)10-3-2-4-15-10/h2-4,8-9H,5-7H2,1H3.
What are the key properties of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone?
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone has a molecular weight of 243.69 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 102937304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).