2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one

C12H18ClNO3 — CID 146094448

IUPAC2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1COCCN1C(=O)CCl
InChIInChI=1S/C12H18ClNO3/c13-7-12(16)14-5-6-17-8-10(14)9-3-1-2-4-11(9)15/h9-10H,1-8H2
InChIKeyBQIWWXYOSRTYGC-UHFFFAOYSA-N
MW259.73 g/mol
LogP1.21
Rot. Bonds2

About 2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one

2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one (PubChem CID 146094448) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is 2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one
PubChem CID146094448
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC Name2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1COCCN1C(=O)CCl
InChIInChI=1S/C12H18ClNO3/c13-7-12(16)14-5-6-17-8-10(14)9-3-1-2-4-11(9)15/h9-10H,1-8H2
InChIKeyBQIWWXYOSRTYGC-UHFFFAOYSA-N
XLogP1.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one?
The IUPAC name of 2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one (CID 146094448) is 2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one?
The canonical SMILES for 2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one is O=C1CCCCC1C1COCCN1C(=O)CCl.
What is the InChIKey of 2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one?
The InChIKey is BQIWWXYOSRTYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3/c13-7-12(16)14-5-6-17-8-10(14)9-3-1-2-4-11(9)15/h9-10H,1-8H2.
What are the key properties of 2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one?
2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one has a molecular weight of 259.73 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one is sourced from PubChem (CID 146094448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).