spiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile

C13H14N2O — CID 67286131

IUPACspiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile
SMILESN#Cc1ccc2c(c1)NCC21CCOCC1
InChIInChI=1S/C13H14N2O/c14-8-10-1-2-11-12(7-10)15-9-13(11)3-5-16-6-4-13/h1-2,7,15H,3-6,9H2
InChIKeyGMYOZULPMKTXMA-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.03
Rot. Bonds

About spiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile

spiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile (PubChem CID 67286131) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is spiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile.

Molecular Properties

Compound Namespiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile
PubChem CID67286131
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Namespiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile
SMILESN#Cc1ccc2c(c1)NCC21CCOCC1
InChIInChI=1S/C13H14N2O/c14-8-10-1-2-11-12(7-10)15-9-13(11)3-5-16-6-4-13/h1-2,7,15H,3-6,9H2
InChIKeyGMYOZULPMKTXMA-UHFFFAOYSA-N
XLogP2.03
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze spiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile
CID 141172300
spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile
CID 152618988
2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-carbonitrile
CID 10535622
spiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]
CID 96622382
2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile
CID 84618320
5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane]
CID 106701657
4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride
CID 86767500
3,4-dihydro-2H-1,4-benzoxazine-7-carbonitrile
CID 53403839
3-(1'-methylspiro[1,2-dihydroindole-3,4'-piperidine]-2'-yl)benzonitrile
CID 139999001
1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile
CID 69199338
2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene-14,30-dicarbonitrile
CID 3956324
6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane]
CID 156632845

Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile?
The IUPAC name of spiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile (CID 67286131) is spiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile.
What is the SMILES notation for spiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile?
The canonical SMILES for spiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile is N#Cc1ccc2c(c1)NCC21CCOCC1.
What is the InChIKey of spiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile?
The InChIKey is GMYOZULPMKTXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-8-10-1-2-11-12(7-10)15-9-13(11)3-5-16-6-4-13/h1-2,7,15H,3-6,9H2.
What are the key properties of spiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile?
spiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile is sourced from PubChem (CID 67286131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).