(4R)-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one

C14H15NO2 — CID 10014046

IUPAC(4R)-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one
SMILESO=C1OC[C@@H](c2ccccc2)N2CCCC=C12
InChIInChI=1S/C14H15NO2/c16-14-12-8-4-5-9-15(12)13(10-17-14)11-6-2-1-3-7-11/h1-3,6-8,13H,4-5,9-10H2/t13-/m0/s1
InChIKeyUMFILACZMYMOAF-ZDUSSCGKSA-N
MW229.28 g/mol
LogP2.26
Rot. Bonds1

About (4R)-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one

(4R)-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one (PubChem CID 10014046) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (4R)-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one.

Molecular Properties

Compound Name(4R)-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one
PubChem CID10014046
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(4R)-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one
SMILESO=C1OC[C@@H](c2ccccc2)N2CCCC=C12
InChIInChI=1S/C14H15NO2/c16-14-12-8-4-5-9-15(12)13(10-17-14)11-6-2-1-3-7-11/h1-3,6-8,13H,4-5,9-10H2/t13-/m0/s1
InChIKeyUMFILACZMYMOAF-ZDUSSCGKSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one?
The IUPAC name of (4R)-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one (CID 10014046) is (4R)-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one.
What is the SMILES notation for (4R)-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one?
The canonical SMILES for (4R)-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one is O=C1OC[C@@H](c2ccccc2)N2CCCC=C12.
What is the InChIKey of (4R)-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one?
The InChIKey is UMFILACZMYMOAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15NO2/c16-14-12-8-4-5-9-15(12)13(10-17-14)11-6-2-1-3-7-11/h1-3,6-8,13H,4-5,9-10H2/t13-/m0/s1.
What are the key properties of (4R)-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one?
(4R)-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one has a molecular weight of 229.28 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one is sourced from PubChem (CID 10014046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).