4-chloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butan-1-one

C10H18ClNO2 — CID 28733069

IUPAC4-chloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butan-1-one
SMILESC[C@@H]1CN(C(=O)CCCCl)C[C@@H](C)O1
InChIInChI=1S/C10H18ClNO2/c1-8-6-12(7-9(2)14-8)10(13)4-3-5-11/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyMXLNDRRHTFFQEL-RKDXNWHRSA-N
MW219.71 g/mol
LogP1.64
Rot. Bonds3

About 4-chloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butan-1-one

4-chloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butan-1-one (PubChem CID 28733069) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 4-chloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-chloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butan-1-one
PubChem CID28733069
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name4-chloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butan-1-one
SMILESC[C@@H]1CN(C(=O)CCCCl)C[C@@H](C)O1
InChIInChI=1S/C10H18ClNO2/c1-8-6-12(7-9(2)14-8)10(13)4-3-5-11/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyMXLNDRRHTFFQEL-RKDXNWHRSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.64
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 4-chloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butan-1-one?
The IUPAC name of 4-chloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butan-1-one (CID 28733069) is 4-chloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-chloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butan-1-one?
The canonical SMILES for 4-chloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butan-1-one is C[C@@H]1CN(C(=O)CCCCl)C[C@@H](C)O1.
What is the InChIKey of 4-chloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butan-1-one?
The InChIKey is MXLNDRRHTFFQEL-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-8-6-12(7-9(2)14-8)10(13)4-3-5-11/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of 4-chloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butan-1-one?
4-chloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butan-1-one has a molecular weight of 219.71 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butan-1-one is sourced from PubChem (CID 28733069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).