spiro[4,8b-dihydrooxazireno[3,2-a]isoquinoline-3,1'-cyclohexane]-4-ol

C14H17NO2 — CID 10609560

IUPACspiro[4,8b-dihydrooxazireno[3,2-a]isoquinoline-3,1'-cyclohexane]-4-ol
SMILESOC1c2ccccc2C2ON2C12CCCCC2
InChIInChI=1S/C14H17NO2/c16-12-10-6-2-3-7-11(10)13-15(17-13)14(12)8-4-1-5-9-14/h2-3,6-7,12-13,16H,1,4-5,8-9H2
InChIKeyFPDRRHHLPWPICE-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.68
Rot. Bonds

About spiro[4,8b-dihydrooxazireno[3,2-a]isoquinoline-3,1'-cyclohexane]-4-ol

spiro[4,8b-dihydrooxazireno[3,2-a]isoquinoline-3,1'-cyclohexane]-4-ol (PubChem CID 10609560) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is spiro[4,8b-dihydrooxazireno[3,2-a]isoquinoline-3,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Namespiro[4,8b-dihydrooxazireno[3,2-a]isoquinoline-3,1'-cyclohexane]-4-ol
PubChem CID10609560
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Namespiro[4,8b-dihydrooxazireno[3,2-a]isoquinoline-3,1'-cyclohexane]-4-ol
SMILESOC1c2ccccc2C2ON2C12CCCCC2
InChIInChI=1S/C14H17NO2/c16-12-10-6-2-3-7-11(10)13-15(17-13)14(12)8-4-1-5-9-14/h2-3,6-7,12-13,16H,1,4-5,8-9H2
InChIKeyFPDRRHHLPWPICE-UHFFFAOYSA-N
XLogP2.68
TPSA35.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[4,8b-dihydrooxazireno[3,2-a]isoquinoline-3,1'-cyclohexane]-4-ol?
The IUPAC name of spiro[4,8b-dihydrooxazireno[3,2-a]isoquinoline-3,1'-cyclohexane]-4-ol (CID 10609560) is spiro[4,8b-dihydrooxazireno[3,2-a]isoquinoline-3,1'-cyclohexane]-4-ol.
What is the SMILES notation for spiro[4,8b-dihydrooxazireno[3,2-a]isoquinoline-3,1'-cyclohexane]-4-ol?
The canonical SMILES for spiro[4,8b-dihydrooxazireno[3,2-a]isoquinoline-3,1'-cyclohexane]-4-ol is OC1c2ccccc2C2ON2C12CCCCC2.
What is the InChIKey of spiro[4,8b-dihydrooxazireno[3,2-a]isoquinoline-3,1'-cyclohexane]-4-ol?
The InChIKey is FPDRRHHLPWPICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-12-10-6-2-3-7-11(10)13-15(17-13)14(12)8-4-1-5-9-14/h2-3,6-7,12-13,16H,1,4-5,8-9H2.
What are the key properties of spiro[4,8b-dihydrooxazireno[3,2-a]isoquinoline-3,1'-cyclohexane]-4-ol?
spiro[4,8b-dihydrooxazireno[3,2-a]isoquinoline-3,1'-cyclohexane]-4-ol has a molecular weight of 231.29 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4,8b-dihydrooxazireno[3,2-a]isoquinoline-3,1'-cyclohexane]-4-ol is sourced from PubChem (CID 10609560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).