spiro[1H-chromeno[3,4-d]pyrazole-4,1'-cyclohexane]

C15H16N2O — CID 11601167

IUPACspiro[1H-chromeno[3,4-d]pyrazole-4,1'-cyclohexane]
SMILESc1ccc2c(c1)OC1(CCCCC1)c1cn[nH]c1-2
InChIInChI=1S/C15H16N2O/c1-4-8-15(9-5-1)12-10-16-17-14(12)11-6-2-3-7-13(11)18-15/h2-3,6-7,10H,1,4-5,8-9H2,(H,16,17)
InChIKeyCLHIQKKWLWYZET-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.63
Rot. Bonds

About spiro[1H-chromeno[3,4-d]pyrazole-4,1'-cyclohexane]

spiro[1H-chromeno[3,4-d]pyrazole-4,1'-cyclohexane] (PubChem CID 11601167) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is spiro[1H-chromeno[3,4-d]pyrazole-4,1'-cyclohexane].

Molecular Properties

Compound Namespiro[1H-chromeno[3,4-d]pyrazole-4,1'-cyclohexane]
PubChem CID11601167
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Namespiro[1H-chromeno[3,4-d]pyrazole-4,1'-cyclohexane]
SMILESc1ccc2c(c1)OC1(CCCCC1)c1cn[nH]c1-2
InChIInChI=1S/C15H16N2O/c1-4-8-15(9-5-1)12-10-16-17-14(12)11-6-2-3-7-13(11)18-15/h2-3,6-7,10H,1,4-5,8-9H2,(H,16,17)
InChIKeyCLHIQKKWLWYZET-UHFFFAOYSA-N
XLogP3.63
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-chromeno[3,4-d]pyrazole-4,1'-cyclohexane]?
The IUPAC name of spiro[1H-chromeno[3,4-d]pyrazole-4,1'-cyclohexane] (CID 11601167) is spiro[1H-chromeno[3,4-d]pyrazole-4,1'-cyclohexane].
What is the SMILES notation for spiro[1H-chromeno[3,4-d]pyrazole-4,1'-cyclohexane]?
The canonical SMILES for spiro[1H-chromeno[3,4-d]pyrazole-4,1'-cyclohexane] is c1ccc2c(c1)OC1(CCCCC1)c1cn[nH]c1-2.
What is the InChIKey of spiro[1H-chromeno[3,4-d]pyrazole-4,1'-cyclohexane]?
The InChIKey is CLHIQKKWLWYZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-4-8-15(9-5-1)12-10-16-17-14(12)11-6-2-3-7-13(11)18-15/h2-3,6-7,10H,1,4-5,8-9H2,(H,16,17).
What are the key properties of spiro[1H-chromeno[3,4-d]pyrazole-4,1'-cyclohexane]?
spiro[1H-chromeno[3,4-d]pyrazole-4,1'-cyclohexane] has a molecular weight of 240.31 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-chromeno[3,4-d]pyrazole-4,1'-cyclohexane] is sourced from PubChem (CID 11601167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).