(4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol

C13H18N2O2 — CID 24747147

IUPAC(4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol
SMILESCN1CC[C@@]2(C)c3cc(O)ccc3N(C)C2O1
InChIInChI=1S/C13H18N2O2/c1-13-6-7-14(2)17-12(13)15(3)11-5-4-9(16)8-10(11)13/h4-5,8,12,16H,6-7H2,1-3H3/t12?,13-/m0/s1
InChIKeyOPAXVHIAQIXNAM-ABLWVSNPSA-N
MW234.30 g/mol
LogP1.69
Rot. Bonds

About (4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol

(4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol (PubChem CID 24747147) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol.

Molecular Properties

Compound Name(4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol
PubChem CID24747147
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol
SMILESCN1CC[C@@]2(C)c3cc(O)ccc3N(C)C2O1
InChIInChI=1S/C13H18N2O2/c1-13-6-7-14(2)17-12(13)15(3)11-5-4-9(16)8-10(11)13/h4-5,8,12,16H,6-7H2,1-3H3/t12?,13-/m0/s1
InChIKeyOPAXVHIAQIXNAM-ABLWVSNPSA-N
XLogP1.69
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol?
The IUPAC name of (4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol (CID 24747147) is (4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol.
What is the SMILES notation for (4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol?
The canonical SMILES for (4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol is CN1CC[C@@]2(C)c3cc(O)ccc3N(C)C2O1.
What is the InChIKey of (4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol?
The InChIKey is OPAXVHIAQIXNAM-ABLWVSNPSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13-6-7-14(2)17-12(13)15(3)11-5-4-9(16)8-10(11)13/h4-5,8,12,16H,6-7H2,1-3H3/t12?,13-/m0/s1.
What are the key properties of (4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol?
(4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol has a molecular weight of 234.30 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-ol is sourced from PubChem (CID 24747147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).