(2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one

C16H20ClNO3 — CID 15500414

IUPAC(2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one
SMILESC=C[C@@H](Cl)[C@H](OCc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C16H20ClNO3/c1-2-14(17)15(16(19)18-8-10-20-11-9-18)21-12-13-6-4-3-5-7-13/h2-7,14-15H,1,8-12H2/t14-,15+/m1/s1
InChIKeyGWZJSLFZMUIOPJ-CABCVRRESA-N
MW309.79 g/mol
LogP2.22
Rot. Bonds6

About (2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one

(2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one (PubChem CID 15500414) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is (2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one.

Molecular Properties

Compound Name(2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one
PubChem CID15500414
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name(2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one
SMILESC=C[C@@H](Cl)[C@H](OCc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C16H20ClNO3/c1-2-14(17)15(16(19)18-8-10-20-11-9-18)21-12-13-6-4-3-5-7-13/h2-7,14-15H,1,8-12H2/t14-,15+/m1/s1
InChIKeyGWZJSLFZMUIOPJ-CABCVRRESA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one?
The IUPAC name of (2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one (CID 15500414) is (2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one.
What is the SMILES notation for (2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one?
The canonical SMILES for (2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one is C=C[C@@H](Cl)[C@H](OCc1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of (2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one?
The InChIKey is GWZJSLFZMUIOPJ-CABCVRRESA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-2-14(17)15(16(19)18-8-10-20-11-9-18)21-12-13-6-4-3-5-7-13/h2-7,14-15H,1,8-12H2/t14-,15+/m1/s1.
What are the key properties of (2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one?
(2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one has a molecular weight of 309.79 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one is sourced from PubChem (CID 15500414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).