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

C14H17NO2 — CID 141172706

IUPAC1-phenyl-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
SMILESO=C1CCCC2C(c3ccccc3)OCCN12
InChIInChI=1S/C14H17NO2/c16-13-8-4-7-12-14(17-10-9-15(12)13)11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2
InChIKeyUTNMFIOPJQXVQR-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.14
Rot. Bonds1

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

1-phenyl-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one (PubChem CID 141172706) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-phenyl-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one.

Molecular Properties

Compound Name1-phenyl-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
PubChem CID141172706
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-phenyl-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
SMILESO=C1CCCC2C(c3ccccc3)OCCN12
InChIInChI=1S/C14H17NO2/c16-13-8-4-7-12-14(17-10-9-15(12)13)11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2
InChIKeyUTNMFIOPJQXVQR-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

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

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Related Compounds

1-Phenyloctahydropyrido[2,1-c][1,4]oxazine
CID 11842168
Pyrido(2,1-c)(1,4)oxazine, octahydro-3-phenyl-, hydrochloride
CID 3044778
2H,6H-Pyrido(2,1-b)(1,3)oxazin-6-one, 3,4,7,8,9,9a-hexahydro-9a-phenyl-
CID 201902
1,4-Bis(3-methyl-2-phenylmorpholin-4-yl)butane-1,4-dione
CID 2826596
1-phenylhexahydropyrido[2,1-c][1,4]oxazin-4(3H)-one
CID 11842166
(1R,2R,9S,17S)-4-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 53325433
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628
2H-1,4-Benzoxazin-3(4H)-one, hexahydro-4-methyl-8a-phenyl-, (E)-
CID 56843574
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 50961802
2,2-Dimethyl-1-(2-phenylmorpholino)propan-1-one
CID 16894672
Cyclohexyl(2-phenylmorpholino)methanone
CID 16894670

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
The IUPAC name of 1-phenyl-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one (CID 141172706) is 1-phenyl-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one.
What is the SMILES notation for 1-phenyl-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
The canonical SMILES for 1-phenyl-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one is O=C1CCCC2C(c3ccccc3)OCCN12.
What is the InChIKey of 1-phenyl-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
The InChIKey is UTNMFIOPJQXVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13-8-4-7-12-14(17-10-9-15(12)13)11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2.
What are the key properties of 1-phenyl-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
1-phenyl-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one has a molecular weight of 231.30 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one is sourced from PubChem (CID 141172706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).