(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone

C12H17NO3 — CID 25236975

IUPAC(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H17NO3/c1-8-6-13(7-9(2)16-8)12(14)11-4-5-15-10(11)3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyGZXMRKQMLJPSEA-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.84
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone (PubChem CID 25236975) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
PubChem CID25236975
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H17NO3/c1-8-6-13(7-9(2)16-8)12(14)11-4-5-15-10(11)3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyGZXMRKQMLJPSEA-UHFFFAOYSA-N
XLogP1.84
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
CID 63105467
(2-chlorofuran-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 106687354
(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 106686990
methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate
CID 99859108
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-(2-methylfuran-3-yl)methanone
CID 113412127
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone
CID 103933005
(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone
CID 131196683
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870
(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932969

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone (CID 25236975) is (2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone?
The InChIKey is GZXMRKQMLJPSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-6-13(7-9(2)16-8)12(14)11-4-5-15-10(11)3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone has a molecular weight of 223.27 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 25236975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).