(2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine]

C15H12N2O — CID 58843995

IUPAC(2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine]
SMILESC1=Nc2ccccc2O[C@@]12Cc1ccccc1N2
InChIInChI=1S/C15H12N2O/c1-2-6-12-11(5-1)9-15(17-12)10-16-13-7-3-4-8-14(13)18-15/h1-8,10,17H,9H2/t15-/m0/s1
InChIKeyHKTQIVNMRROVQK-HNNXBMFYSA-N
MW236.27 g/mol
LogP3.15
Rot. Bonds

About (2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine]

(2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine] (PubChem CID 58843995) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is (2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine].

Molecular Properties

Compound Name(2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine]
PubChem CID58843995
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name(2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine]
SMILESC1=Nc2ccccc2O[C@@]12Cc1ccccc1N2
InChIInChI=1S/C15H12N2O/c1-2-6-12-11(5-1)9-15(17-12)10-16-13-7-3-4-8-14(13)18-15/h1-8,10,17H,9H2/t15-/m0/s1
InChIKeyHKTQIVNMRROVQK-HNNXBMFYSA-N
XLogP3.15
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine]?
The IUPAC name of (2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine] (CID 58843995) is (2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine].
What is the SMILES notation for (2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine]?
The canonical SMILES for (2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine] is C1=Nc2ccccc2O[C@@]12Cc1ccccc1N2.
What is the InChIKey of (2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine]?
The InChIKey is HKTQIVNMRROVQK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-2-6-12-11(5-1)9-15(17-12)10-16-13-7-3-4-8-14(13)18-15/h1-8,10,17H,9H2/t15-/m0/s1.
What are the key properties of (2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine]?
(2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine] has a molecular weight of 236.27 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine] is sourced from PubChem (CID 58843995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).