3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol

C12H12N2O2 — CID 172850033

IUPAC3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol
SMILESCC1=NOC2(C=C1O)CNc1ccccc12
InChIInChI=1S/C12H12N2O2/c1-8-11(15)6-12(16-14-8)7-13-10-5-3-2-4-9(10)12/h2-6,13,15H,7H2,1H3
InChIKeyXYCKXVDZPAPLPR-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.16
Rot. Bonds

About 3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol

3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol (PubChem CID 172850033) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol.

Molecular Properties

Compound Name3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol
PubChem CID172850033
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol
SMILESCC1=NOC2(C=C1O)CNc1ccccc12
InChIInChI=1S/C12H12N2O2/c1-8-11(15)6-12(16-14-8)7-13-10-5-3-2-4-9(10)12/h2-6,13,15H,7H2,1H3
InChIKeyXYCKXVDZPAPLPR-UHFFFAOYSA-N
XLogP2.16
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Fluoro-1,2-dihydroindol-3-ol
CID 118277781
3-(Trifluoromethyl)-1,2-dihydroindol-3-ol
CID 130136128
3-(3,3-Difluoroprop-2-enyl)-1,2-dihydroindol-3-ol
CID 175334422
3-(1,3-Difluoroprop-2-enyl)-1,2-dihydroindol-3-ol
CID 175334423
1,3-Dihydroxy-tryptamine
CID 129829494
3-methyl-2-methylidene-1H-indol-3-ol
CID 134864217
2-[(3-hydroxy-3-methylindol-2-yl)methyl]-2,3-dimethyl-1H-indol-3-olate
CID 134864274
2-Imino-1,3-dimethyl-3-indolinol
CID 3656896
1-methyl-3-phenyl-2H-indol-3-ol
CID 10933152
3-(2-Aminoethyl)-1,2-dihydroindol-3-ol
CID 19914408
3-Methyl-1,2-dihydroindol-3-ol
CID 67373673
(3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole]
CID 67519049

Frequently Asked Questions

What is the IUPAC name of 3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol?
The IUPAC name of 3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol (CID 172850033) is 3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol.
What is the SMILES notation for 3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol?
The canonical SMILES for 3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol is CC1=NOC2(C=C1O)CNc1ccccc12.
What is the InChIKey of 3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol?
The InChIKey is XYCKXVDZPAPLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-11(15)6-12(16-14-8)7-13-10-5-3-2-4-9(10)12/h2-6,13,15H,7H2,1H3.
What are the key properties of 3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol?
3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol has a molecular weight of 216.24 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol is sourced from PubChem (CID 172850033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).