(10aS)-10,10,10a-trimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole

C14H19NO — CID 46209692

IUPAC(10aS)-10,10,10a-trimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole
SMILESCC1(C)c2ccccc2N2CCCO[C@]21C
InChIInChI=1S/C14H19NO/c1-13(2)11-7-4-5-8-12(11)15-9-6-10-16-14(13,15)3/h4-5,7-8H,6,9-10H2,1-3H3/t14-/m0/s1
InChIKeyVWFLHUSSSXMNIF-AWEZNQCLSA-N
MW217.31 g/mol
LogP2.92
Rot. Bonds

About (10aS)-10,10,10a-trimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole

(10aS)-10,10,10a-trimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole (PubChem CID 46209692) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (10aS)-10,10,10a-trimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole.

Molecular Properties

Compound Name(10aS)-10,10,10a-trimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole
PubChem CID46209692
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(10aS)-10,10,10a-trimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole
SMILESCC1(C)c2ccccc2N2CCCO[C@]21C
InChIInChI=1S/C14H19NO/c1-13(2)11-7-4-5-8-12(11)15-9-6-10-16-14(13,15)3/h4-5,7-8H,6,9-10H2,1-3H3/t14-/m0/s1
InChIKeyVWFLHUSSSXMNIF-AWEZNQCLSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10aS)-10,10,10a-trimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole?
The IUPAC name of (10aS)-10,10,10a-trimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole (CID 46209692) is (10aS)-10,10,10a-trimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole.
What is the SMILES notation for (10aS)-10,10,10a-trimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole?
The canonical SMILES for (10aS)-10,10,10a-trimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole is CC1(C)c2ccccc2N2CCCO[C@]21C.
What is the InChIKey of (10aS)-10,10,10a-trimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole?
The InChIKey is VWFLHUSSSXMNIF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19NO/c1-13(2)11-7-4-5-8-12(11)15-9-6-10-16-14(13,15)3/h4-5,7-8H,6,9-10H2,1-3H3/t14-/m0/s1.
What are the key properties of (10aS)-10,10,10a-trimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole?
(10aS)-10,10,10a-trimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole has a molecular weight of 217.31 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10aS)-10,10,10a-trimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole is sourced from PubChem (CID 46209692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).