(2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone

C11H15ClN2O3 — CID 106688583

IUPAC(2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone
SMILESCNCC1CN(C(=O)c2ccoc2Cl)CCO1
InChIInChI=1S/C11H15ClN2O3/c1-13-6-8-7-14(3-5-16-8)11(15)9-2-4-17-10(9)12/h2,4,8,13H,3,5-7H2,1H3
InChIKeyCQOAESGUMPGQGG-UHFFFAOYSA-N
MW258.70 g/mol
LogP0.99
Rot. Bonds3

About (2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone

(2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone (PubChem CID 106688583) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone
PubChem CID106688583
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name(2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone
SMILESCNCC1CN(C(=O)c2ccoc2Cl)CCO1
InChIInChI=1S/C11H15ClN2O3/c1-13-6-8-7-14(3-5-16-8)11(15)9-2-4-17-10(9)12/h2,4,8,13H,3,5-7H2,1H3
InChIKeyCQOAESGUMPGQGG-UHFFFAOYSA-N
XLogP0.99
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone (CID 106688583) is (2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone is CNCC1CN(C(=O)c2ccoc2Cl)CCO1.
What is the InChIKey of (2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone?
The InChIKey is CQOAESGUMPGQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-13-6-8-7-14(3-5-16-8)11(15)9-2-4-17-10(9)12/h2,4,8,13H,3,5-7H2,1H3.
What are the key properties of (2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone?
(2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone has a molecular weight of 258.70 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 106688583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).