(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone

C13H19NO3 — CID 128927247

IUPAC(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)OCC2C)c(C)o1
InChIInChI=1S/C13H19NO3/c1-8-7-16-10(3)6-14(8)13(15)12-5-9(2)17-11(12)4/h5,8,10H,6-7H2,1-4H3
InChIKeyJNEJUJDNHKCRQK-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.15
Rot. Bonds1

About (2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone

(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 128927247) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID128927247
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)OCC2C)c(C)o1
InChIInChI=1S/C13H19NO3/c1-8-7-16-10(3)6-14(8)13(15)12-5-9(2)17-11(12)4/h5,8,10H,6-7H2,1-4H3
InChIKeyJNEJUJDNHKCRQK-UHFFFAOYSA-N
XLogP2.15
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 81212071
1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083917
(2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122245134
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone
CID 79771017
(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 61095610
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705081
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103295933
(4-chloro-6-methyl-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81226044
(2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103887571
(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone
CID 114824778
(5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one
CID 96578164

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 128927247) is (2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone is Cc1cc(C(=O)N2CC(C)OCC2C)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is JNEJUJDNHKCRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8-7-16-10(3)6-14(8)13(15)12-5-9(2)17-11(12)4/h5,8,10H,6-7H2,1-4H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 128927247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).