3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine

C15H21NO2 — CID 62519492

IUPAC3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine
SMILESCCC1(CC)COC2c3ccccc3OCC2N1
InChIInChI=1S/C15H21NO2/c1-3-15(4-2)10-18-14-11-7-5-6-8-13(11)17-9-12(14)16-15/h5-8,12,14,16H,3-4,9-10H2,1-2H3
InChIKeyWPYKUDYRCOUNSV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.67
Rot. Bonds2

About 3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine

3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine (PubChem CID 62519492) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine
PubChem CID62519492
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine
SMILESCCC1(CC)COC2c3ccccc3OCC2N1
InChIInChI=1S/C15H21NO2/c1-3-15(4-2)10-18-14-11-7-5-6-8-13(11)17-9-12(14)16-15/h5-8,12,14,16H,3-4,9-10H2,1-2H3
InChIKeyWPYKUDYRCOUNSV-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane]
CID 62517000
3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene
CID 154595139
N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 45088771
bis((4aS)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazine);(4aR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazine;(4aR)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]chromene
CID 164976071
1,1-diethyl-3,8b-dihydro-2aH-cyclobuta[c]chromen-2-one
CID 81421321
3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43184438
2-(4H-1,3-benzodioxin-4-yl)-5-methylpyrrolidine
CID 155345793
(3S,4S)-3,4-dipentyl-3,4-dihydro-2H-chromene
CID 69084900
N-(2,3-dihydro-1-benzofuran-3-yl)ethanesulfonamide
CID 62065932
2,3-dihydro-1-benzofuran-3-ol
CID 585896
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine?
The IUPAC name of 3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine (CID 62519492) is 3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine.
What is the SMILES notation for 3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine?
The canonical SMILES for 3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine is CCC1(CC)COC2c3ccccc3OCC2N1.
What is the InChIKey of 3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine?
The InChIKey is WPYKUDYRCOUNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-15(4-2)10-18-14-11-7-5-6-8-13(11)17-9-12(14)16-15/h5-8,12,14,16H,3-4,9-10H2,1-2H3.
What are the key properties of 3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine?
3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine has a molecular weight of 247.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine is sourced from PubChem (CID 62519492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).