spiro[3,4-dihydro-[1,4]oxazino[4,3-b]indazole-1,1'-cyclohexane]

C15H18N2O — CID 122537088

IUPACspiro[3,4-dihydro-[1,4]oxazino[4,3-b]indazole-1,1'-cyclohexane]
SMILESc1ccc2c3n(nc2c1)CCOC31CCCCC1
InChIInChI=1S/C15H18N2O/c1-4-8-15(9-5-1)14-12-6-2-3-7-13(12)16-17(14)10-11-18-15/h2-3,6-7H,1,4-5,8-11H2
InChIKeyLZQWTCUDPSGBRC-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.23
Rot. Bonds

About spiro[3,4-dihydro-[1,4]oxazino[4,3-b]indazole-1,1'-cyclohexane]

spiro[3,4-dihydro-[1,4]oxazino[4,3-b]indazole-1,1'-cyclohexane] (PubChem CID 122537088) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is spiro[3,4-dihydro-[1,4]oxazino[4,3-b]indazole-1,1'-cyclohexane].

Molecular Properties

Compound Namespiro[3,4-dihydro-[1,4]oxazino[4,3-b]indazole-1,1'-cyclohexane]
PubChem CID122537088
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Namespiro[3,4-dihydro-[1,4]oxazino[4,3-b]indazole-1,1'-cyclohexane]
SMILESc1ccc2c3n(nc2c1)CCOC31CCCCC1
InChIInChI=1S/C15H18N2O/c1-4-8-15(9-5-1)14-12-6-2-3-7-13(12)16-17(14)10-11-18-15/h2-3,6-7H,1,4-5,8-11H2
InChIKeyLZQWTCUDPSGBRC-UHFFFAOYSA-N
XLogP3.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydro-[1,4]oxazino[4,3-b]indazole-1,1'-cyclohexane]?
The IUPAC name of spiro[3,4-dihydro-[1,4]oxazino[4,3-b]indazole-1,1'-cyclohexane] (CID 122537088) is spiro[3,4-dihydro-[1,4]oxazino[4,3-b]indazole-1,1'-cyclohexane].
What is the SMILES notation for spiro[3,4-dihydro-[1,4]oxazino[4,3-b]indazole-1,1'-cyclohexane]?
The canonical SMILES for spiro[3,4-dihydro-[1,4]oxazino[4,3-b]indazole-1,1'-cyclohexane] is c1ccc2c3n(nc2c1)CCOC31CCCCC1.
What is the InChIKey of spiro[3,4-dihydro-[1,4]oxazino[4,3-b]indazole-1,1'-cyclohexane]?
The InChIKey is LZQWTCUDPSGBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-4-8-15(9-5-1)14-12-6-2-3-7-13(12)16-17(14)10-11-18-15/h2-3,6-7H,1,4-5,8-11H2.
What are the key properties of spiro[3,4-dihydro-[1,4]oxazino[4,3-b]indazole-1,1'-cyclohexane]?
spiro[3,4-dihydro-[1,4]oxazino[4,3-b]indazole-1,1'-cyclohexane] has a molecular weight of 242.32 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydro-[1,4]oxazino[4,3-b]indazole-1,1'-cyclohexane] is sourced from PubChem (CID 122537088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).