[4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C13H18ClNO3 — CID 82108555

IUPAC[4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1oc(C(=O)N2CC(C)OC(C)C2)cc1CCl
InChIInChI=1S/C13H18ClNO3/c1-8-6-15(7-9(2)17-8)13(16)12-4-11(5-14)10(3)18-12/h4,8-9H,5-7H2,1-3H3
InChIKeyURLGKTTUUGEITQ-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.58
Rot. Bonds2

About [4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 82108555) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is [4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID82108555
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name[4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1oc(C(=O)N2CC(C)OC(C)C2)cc1CCl
InChIInChI=1S/C13H18ClNO3/c1-8-6-15(7-9(2)17-8)13(16)12-4-11(5-14)10(3)18-12/h4,8-9H,5-7H2,1-3H3
InChIKeyURLGKTTUUGEITQ-UHFFFAOYSA-N
XLogP2.58
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.58
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

5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-4,6-dimethylpyran-2-one
CID 930606
(5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 106690235
3-(2,6-dimethylmorpholine-4-carbonyl)isochromen-1-one
CID 172882133
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone
CID 163317511
5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylfuran-2-sulfonamide
CID 39878222
4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide
CID 82109782
[4-(chloromethyl)phenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932344
(5-chlorofuran-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934136
(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
CID 25236975
(3-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 143211757
(4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 42791174

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 82108555) is [4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is Cc1oc(C(=O)N2CC(C)OC(C)C2)cc1CCl.
What is the InChIKey of [4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is URLGKTTUUGEITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-8-6-15(7-9(2)17-8)13(16)12-4-11(5-14)10(3)18-12/h4,8-9H,5-7H2,1-3H3.
What are the key properties of [4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 271.74 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 82108555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).