3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine

C13H17NO — CID 43174689

IUPAC3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine
SMILESCCC1COC2c3ccccc3CC2N1
InChIInChI=1S/C13H17NO/c1-2-10-8-15-13-11-6-4-3-5-9(11)7-12(13)14-10/h3-6,10,12-14H,2,7-8H2,1H3
InChIKeyHTDMZKLXGTVZOZ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.05
Rot. Bonds1

About 3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine

3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine (PubChem CID 43174689) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine.

Molecular Properties

Compound Name3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine
PubChem CID43174689
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine
SMILESCCC1COC2c3ccccc3CC2N1
InChIInChI=1S/C13H17NO/c1-2-10-8-15-13-11-6-4-3-5-9(11)7-12(13)14-10/h3-6,10,12-14H,2,7-8H2,1H3
InChIKeyHTDMZKLXGTVZOZ-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 101228506
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CID 83970505
5-ethyl-3-methyl-2-(4-methylphenyl)morpholine
CID 43366887
(3aR,8bS)-2-methyl-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3,2]oxazaborole
CID 11355770
2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine
CID 66178960
(1S,2S)-1-ethyl-2,3-dihydro-1H-inden-2-ol
CID 130811012
3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 123461490
(2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
CID 11903995
(3S)-3-ethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 92977970
(1S,3S)-1,3-dimethyl-3,4-dihydro-1H-isochromene
CID 6429796
5-benzyl-3-ethyl-2-phenylmorpholine
CID 63261636
1,3-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 57311823

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine?
The IUPAC name of 3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine (CID 43174689) is 3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine.
What is the SMILES notation for 3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine?
The canonical SMILES for 3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine is CCC1COC2c3ccccc3CC2N1.
What is the InChIKey of 3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine?
The InChIKey is HTDMZKLXGTVZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-10-8-15-13-11-6-4-3-5-9(11)7-12(13)14-10/h3-6,10,12-14H,2,7-8H2,1H3.
What are the key properties of 3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine?
3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine has a molecular weight of 203.28 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine is sourced from PubChem (CID 43174689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).