(4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol

C14H19NO2 — CID 13293109

IUPAC(4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol
SMILESCCN1CCO[C@@H]2c3ccc(O)cc3CC[C@H]21
InChIInChI=1S/C14H19NO2/c1-2-15-7-8-17-14-12-5-4-11(16)9-10(12)3-6-13(14)15/h4-5,9,13-14,16H,2-3,6-8H2,1H3/t13-,14-/m1/s1
InChIKeyOADROXWBYMSSKW-ZIAGYGMSSA-N
MW233.31 g/mol
LogP2.10
Rot. Bonds1

About (4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol

(4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol (PubChem CID 13293109) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol.

Molecular Properties

Compound Name(4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol
PubChem CID13293109
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol
SMILESCCN1CCO[C@@H]2c3ccc(O)cc3CC[C@H]21
InChIInChI=1S/C14H19NO2/c1-2-15-7-8-17-14-12-5-4-11(16)9-10(12)3-6-13(14)15/h4-5,9,13-14,16H,2-3,6-8H2,1H3/t13-,14-/m1/s1
InChIKeyOADROXWBYMSSKW-ZIAGYGMSSA-N
XLogP2.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol with MolForge

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Related Compounds

4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-9-ol
CID 10060538
(4aR,10bR)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-9-ol;hydrochloride
CID 46782458
4-[(4aR,10bR)-9-hydroxy-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-4-yl]butanal
CID 129140885
ethyl 3-(8-methoxy-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-4-yl)propanoate
CID 129243882
(4aR,10bS)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxylic acid
CID 69241169
4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol
CID 14039992
(E)-4-(8-methoxy-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-4-yl)but-2-enoic acid
CID 166312371
1-(4-ethylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107684921
(4aR,10bR)-4-(2-fluoroethyl)-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine
CID 25015914
ethyl 3-[8-[(2-chloro-6-ethylphenyl)methoxy]-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-4-yl]propanoate
CID 129243923
2-(6-chloro-3,4-dihydro-1H-isochromen-1-yl)-1-ethyl-4-(4-fluorophenyl)piperazine
CID 54278679
9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine
CID 13293117

Frequently Asked Questions

What is the IUPAC name of (4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol?
The IUPAC name of (4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol (CID 13293109) is (4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol.
What is the SMILES notation for (4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol?
The canonical SMILES for (4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol is CCN1CCO[C@@H]2c3ccc(O)cc3CC[C@H]21.
What is the InChIKey of (4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol?
The InChIKey is OADROXWBYMSSKW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-15-7-8-17-14-12-5-4-11(16)9-10(12)3-6-13(14)15/h4-5,9,13-14,16H,2-3,6-8H2,1H3/t13-,14-/m1/s1.
What are the key properties of (4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol?
(4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol has a molecular weight of 233.31 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-8-ol is sourced from PubChem (CID 13293109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).