2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone

C9H18N2O2 — CID 165172358

IUPAC2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CN(C)C)CCO1
InChIInChI=1S/C9H18N2O2/c1-8-6-11(4-5-13-8)9(12)7-10(2)3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyIUZAFDCMQAVJDT-MRVPVSSYSA-N
MW186.25 g/mol
LogP-0.20
Rot. Bonds2

About 2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone

2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone (PubChem CID 165172358) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
PubChem CID165172358
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CN(C)C)CCO1
InChIInChI=1S/C9H18N2O2/c1-8-6-11(4-5-13-8)9(12)7-10(2)3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyIUZAFDCMQAVJDT-MRVPVSSYSA-N
XLogP-0.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone (CID 165172358) is 2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone is C[C@@H]1CN(C(=O)CN(C)C)CCO1.
What is the InChIKey of 2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
The InChIKey is IUZAFDCMQAVJDT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8-6-11(4-5-13-8)9(12)7-10(2)3/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of 2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone has a molecular weight of 186.25 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 165172358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).