(4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one

C13H14ClNO2 — CID 10988748

IUPAC(4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one
SMILESCCC[C@@H]1CC(=O)ON=C1c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO2/c1-2-3-10-8-12(16)17-15-13(10)9-4-6-11(14)7-5-9/h4-7,10H,2-3,8H2,1H3/t10-/m1/s1
InChIKeyPLAHXBSZDFGTEG-SNVBAGLBSA-N
MW251.71 g/mol
LogP3.41
Rot. Bonds3

About (4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one

(4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one (PubChem CID 10988748) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is (4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one.

Molecular Properties

Compound Name(4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one
PubChem CID10988748
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name(4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one
SMILESCCC[C@@H]1CC(=O)ON=C1c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO2/c1-2-3-10-8-12(16)17-15-13(10)9-4-6-11(14)7-5-9/h4-7,10H,2-3,8H2,1H3/t10-/m1/s1
InChIKeyPLAHXBSZDFGTEG-SNVBAGLBSA-N
XLogP3.41
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one?
The IUPAC name of (4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one (CID 10988748) is (4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one.
What is the SMILES notation for (4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one?
The canonical SMILES for (4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one is CCC[C@@H]1CC(=O)ON=C1c1ccc(Cl)cc1.
What is the InChIKey of (4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one?
The InChIKey is PLAHXBSZDFGTEG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-2-3-10-8-12(16)17-15-13(10)9-4-6-11(14)7-5-9/h4-7,10H,2-3,8H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one?
(4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one has a molecular weight of 251.71 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one is sourced from PubChem (CID 10988748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).