1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl

C20H25NO — CID 155742757

IUPAC1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl
SMILESC1CCN2CCOCC2C1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H15NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-9-5-6-10-7-8(9)3-1/h1-10H;8H,1-7H2
InChIKeyBNHTVWNQXRIUGF-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.22
Rot. Bonds1

About 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl

1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl (PubChem CID 155742757) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl.

Molecular Properties

Compound Name1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl
PubChem CID155742757
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl
SMILESC1CCN2CCOCC2C1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H15NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-9-5-6-10-7-8(9)3-1/h1-10H;8H,1-7H2
InChIKeyBNHTVWNQXRIUGF-UHFFFAOYSA-N
XLogP4.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl?
The IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl (CID 155742757) is 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl.
What is the SMILES notation for 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl?
The canonical SMILES for 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl is C1CCN2CCOCC2C1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl?
The InChIKey is BNHTVWNQXRIUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C8H15NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-9-5-6-10-7-8(9)3-1/h1-10H;8H,1-7H2.
What are the key properties of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl?
1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl has a molecular weight of 295.43 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;1,1'-biphenyl is sourced from PubChem (CID 155742757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).