(1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole

C19H19NO — CID 127043833

IUPAC(1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCc1c2n(c3ccccc13)C[C@H](C)O[C@H]2c1ccccc1
InChIInChI=1S/C19H19NO/c1-13-12-20-17-11-7-6-10-16(17)14(2)18(20)19(21-13)15-8-4-3-5-9-15/h3-11,13,19H,12H2,1-2H3/t13-,19-/m0/s1
InChIKeyBQYQTSNUGDOYNM-DJJJIMSYSA-N
MW277.37 g/mol
LogP4.46
Rot. Bonds1

About (1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole

(1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (PubChem CID 127043833) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name(1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
PubChem CID127043833
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCc1c2n(c3ccccc13)C[C@H](C)O[C@H]2c1ccccc1
InChIInChI=1S/C19H19NO/c1-13-12-20-17-11-7-6-10-16(17)14(2)18(20)19(21-13)15-8-4-3-5-9-15/h3-11,13,19H,12H2,1-2H3/t13-,19-/m0/s1
InChIKeyBQYQTSNUGDOYNM-DJJJIMSYSA-N
XLogP4.46
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The IUPAC name of (1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (CID 127043833) is (1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for (1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for (1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole is Cc1c2n(c3ccccc13)C[C@H](C)O[C@H]2c1ccccc1.
What is the InChIKey of (1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The InChIKey is BQYQTSNUGDOYNM-DJJJIMSYSA-N. The full InChI is InChI=1S/C19H19NO/c1-13-12-20-17-11-7-6-10-16(17)14(2)18(20)19(21-13)15-8-4-3-5-9-15/h3-11,13,19H,12H2,1-2H3/t13-,19-/m0/s1.
What are the key properties of (1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
(1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole has a molecular weight of 277.37 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 127043833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).