3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

C9H16ClNO2 — CID 16788682

IUPAC3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)CCCl)CC(C)O1
InChIInChI=1S/C9H16ClNO2/c1-7-5-11(6-8(2)13-7)9(12)3-4-10/h7-8H,3-6H2,1-2H3
InChIKeyYBQWWSMRKQHSIL-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.25
Rot. Bonds2

About 3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 16788682) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID16788682
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)CCCl)CC(C)O1
InChIInChI=1S/C9H16ClNO2/c1-7-5-11(6-8(2)13-7)9(12)3-4-10/h7-8H,3-6H2,1-2H3
InChIKeyYBQWWSMRKQHSIL-UHFFFAOYSA-N
XLogP1.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.25
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 3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 16788682) is 3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)CCCl)CC(C)O1.
What is the InChIKey of 3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is YBQWWSMRKQHSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-7-5-11(6-8(2)13-7)9(12)3-4-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 205.68 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 16788682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).