(4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one

C14H17NO2 — CID 10466440

IUPAC(4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one
SMILESO=C1OC[C@@H](c2ccccc2)N2CCCC[C@H]12
InChIInChI=1S/C14H17NO2/c16-14-12-8-4-5-9-15(12)13(10-17-14)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2/t12-,13+/m1/s1
InChIKeyIRGYPQGHHHPTKT-OLZOCXBDSA-N
MW231.30 g/mol
LogP2.14
Rot. Bonds1

About (4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one

(4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one (PubChem CID 10466440) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one.

Molecular Properties

Compound Name(4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one
PubChem CID10466440
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one
SMILESO=C1OC[C@@H](c2ccccc2)N2CCCC[C@H]12
InChIInChI=1S/C14H17NO2/c16-14-12-8-4-5-9-15(12)13(10-17-14)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2/t12-,13+/m1/s1
InChIKeyIRGYPQGHHHPTKT-OLZOCXBDSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one?
The IUPAC name of (4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one (CID 10466440) is (4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one.
What is the SMILES notation for (4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one?
The canonical SMILES for (4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one is O=C1OC[C@@H](c2ccccc2)N2CCCC[C@H]12.
What is the InChIKey of (4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one?
The InChIKey is IRGYPQGHHHPTKT-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14-12-8-4-5-9-15(12)13(10-17-14)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2/t12-,13+/m1/s1.
What are the key properties of (4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one?
(4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one has a molecular weight of 231.30 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one is sourced from PubChem (CID 10466440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).