(4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol

C11H13NO3 — CID 15293841

IUPAC(4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol
SMILESOc1ccc2c(c1)[C@H]1OCCN[C@@H]1CO2
InChIInChI=1S/C11H13NO3/c13-7-1-2-10-8(5-7)11-9(6-15-10)12-3-4-14-11/h1-2,5,9,11-13H,3-4,6H2/t9-,11-/m1/s1
InChIKeyHDQVTWXXANYCIU-MWLCHTKSSA-N
MW207.23 g/mol
LogP0.81
Rot. Bonds

About (4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol

(4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol (PubChem CID 15293841) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol.

Molecular Properties

Compound Name(4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol
PubChem CID15293841
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol
SMILESOc1ccc2c(c1)[C@H]1OCCN[C@@H]1CO2
InChIInChI=1S/C11H13NO3/c13-7-1-2-10-8(5-7)11-9(6-15-10)12-3-4-14-11/h1-2,5,9,11-13H,3-4,6H2/t9-,11-/m1/s1
InChIKeyHDQVTWXXANYCIU-MWLCHTKSSA-N
XLogP0.81
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol with MolForge

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Related Compounds

PD 128907
CID 115107
3,4,4a,10b-tetrahydro-4-propyl-2H,5H-(1)benzopyrano(4,3-b)-1,4-oxazin-9-ol, (+)-
CID 5117
(4aR,10bR)-3,4,4a,10b-Tetrahydro-4-propyl-2H,5H-(1)benzopyrano(4,3-b)-1,4-oxazin-9-ol
CID 5311346
Butaxamine
CID 18026
Exepanol
CID 71162
Butoxamine Hydrochloride
CID 21909
Butoxamine
CID 134495
(4aR,10bR)-rel-4-Propyl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol hydrochloride
CID 11957668
(cis)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol
CID 44329754
alpha-[1-(T-Butylamino)ethyl]-2,5-dimethoxybenzyl alcohol hydrochloride
CID 6602683
(2,5-Dimethoxyphenyl)(2-piperidinyl)methanol
CID 23723170
6-hydroxy-3,4-dihydro-3-(dipropylamino)-2H-1-benzopyran
CID 86146

Frequently Asked Questions

What is the IUPAC name of (4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol?
The IUPAC name of (4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol (CID 15293841) is (4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol.
What is the SMILES notation for (4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol?
The canonical SMILES for (4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol is Oc1ccc2c(c1)[C@H]1OCCN[C@@H]1CO2.
What is the InChIKey of (4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol?
The InChIKey is HDQVTWXXANYCIU-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H13NO3/c13-7-1-2-10-8(5-7)11-9(6-15-10)12-3-4-14-11/h1-2,5,9,11-13H,3-4,6H2/t9-,11-/m1/s1.
What are the key properties of (4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol?
(4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol has a molecular weight of 207.23 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol is sourced from PubChem (CID 15293841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).