3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole

C11H13NO — CID 11435240

IUPAC3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole
SMILESc1ccc2c(c1)CN1CCOCC21
InChIInChI=1S/C11H13NO/c1-2-4-10-9(3-1)7-12-5-6-13-8-11(10)12/h1-4,11H,5-8H2
InChIKeyFXGXAVKJZHCZHM-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.57
Rot. Bonds

About 3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole

3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole (PubChem CID 11435240) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole.

Molecular Properties

Compound Name3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole
PubChem CID11435240
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole
SMILESc1ccc2c(c1)CN1CCOCC21
InChIInChI=1S/C11H13NO/c1-2-4-10-9(3-1)7-12-5-6-13-8-11(10)12/h1-4,11H,5-8H2
InChIKeyFXGXAVKJZHCZHM-UHFFFAOYSA-N
XLogP1.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine
CID 107150004
1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]-N-methylmethanamine
CID 107149997
3-(3,4-dihydro-1H-isochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 107150003
4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane
CID 63939569
4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine
CID 129392431
(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol
CID 58393444
(3R)-3,4-diphenylmorpholine
CID 22860790
2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260613
2-(oxan-3-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260731
3-phenyl-4-sulfanylmorpholine
CID 126759957
(13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
CID 125495617
morpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione
CID 132518859

Frequently Asked Questions

What is the IUPAC name of 3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole?
The IUPAC name of 3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole (CID 11435240) is 3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole.
What is the SMILES notation for 3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole?
The canonical SMILES for 3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole is c1ccc2c(c1)CN1CCOCC21.
What is the InChIKey of 3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole?
The InChIKey is FXGXAVKJZHCZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-4-10-9(3-1)7-12-5-6-13-8-11(10)12/h1-4,11H,5-8H2.
What are the key properties of 3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole?
3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole has a molecular weight of 175.23 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole is sourced from PubChem (CID 11435240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).