spiro[chromeno[3,4-d][1,2]oxazole-4,1'-cyclohexane]

C15H15NO2 — CID 45035716

IUPACspiro[chromeno[3,4-d][1,2]oxazole-4,1'-cyclohexane]
SMILESc1ccc2c(c1)OC1(CCCCC1)c1cnoc1-2
InChIInChI=1S/C15H15NO2/c1-4-8-15(9-5-1)12-10-16-18-14(12)11-6-2-3-7-13(11)17-15/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyPMQMQINODMWSTQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.89
Rot. Bonds

About spiro[chromeno[3,4-d][1,2]oxazole-4,1'-cyclohexane]

spiro[chromeno[3,4-d][1,2]oxazole-4,1'-cyclohexane] (PubChem CID 45035716) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is spiro[chromeno[3,4-d][1,2]oxazole-4,1'-cyclohexane].

Molecular Properties

Compound Namespiro[chromeno[3,4-d][1,2]oxazole-4,1'-cyclohexane]
PubChem CID45035716
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namespiro[chromeno[3,4-d][1,2]oxazole-4,1'-cyclohexane]
SMILESc1ccc2c(c1)OC1(CCCCC1)c1cnoc1-2
InChIInChI=1S/C15H15NO2/c1-4-8-15(9-5-1)12-10-16-18-14(12)11-6-2-3-7-13(11)17-15/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyPMQMQINODMWSTQ-UHFFFAOYSA-N
XLogP3.89
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[chromeno[3,4-d][1,2]oxazole-4,1'-cyclohexane]?
The IUPAC name of spiro[chromeno[3,4-d][1,2]oxazole-4,1'-cyclohexane] (CID 45035716) is spiro[chromeno[3,4-d][1,2]oxazole-4,1'-cyclohexane].
What is the SMILES notation for spiro[chromeno[3,4-d][1,2]oxazole-4,1'-cyclohexane]?
The canonical SMILES for spiro[chromeno[3,4-d][1,2]oxazole-4,1'-cyclohexane] is c1ccc2c(c1)OC1(CCCCC1)c1cnoc1-2.
What is the InChIKey of spiro[chromeno[3,4-d][1,2]oxazole-4,1'-cyclohexane]?
The InChIKey is PMQMQINODMWSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-4-8-15(9-5-1)12-10-16-18-14(12)11-6-2-3-7-13(11)17-15/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of spiro[chromeno[3,4-d][1,2]oxazole-4,1'-cyclohexane]?
spiro[chromeno[3,4-d][1,2]oxazole-4,1'-cyclohexane] has a molecular weight of 241.29 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[chromeno[3,4-d][1,2]oxazole-4,1'-cyclohexane] is sourced from PubChem (CID 45035716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).