2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone

C8H14ClNO2 — CID 4143920

IUPAC2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CCl)CC(C)O1
InChIInChI=1S/C8H14ClNO2/c1-6-4-10(8(11)3-9)5-7(2)12-6/h6-7H,3-5H2,1-2H3
InChIKeySMTSEWHPTUIWBY-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.86
Rot. Bonds1

About 2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 4143920) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID4143920
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CCl)CC(C)O1
InChIInChI=1S/C8H14ClNO2/c1-6-4-10(8(11)3-9)5-7(2)12-6/h6-7H,3-5H2,1-2H3
InChIKeySMTSEWHPTUIWBY-UHFFFAOYSA-N
XLogP0.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 4143920) is 2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)CCl)CC(C)O1.
What is the InChIKey of 2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is SMTSEWHPTUIWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-6-4-10(8(11)3-9)5-7(2)12-6/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 191.66 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 4143920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).