methyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate

C15H24N2O3 — CID 90808141

IUPACmethyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate
SMILESCOC(=O)N1CCCC2(C=C(C3CCCCC3)NO2)C1
InChIInChI=1S/C15H24N2O3/c1-19-14(18)17-9-5-8-15(11-17)10-13(16-20-15)12-6-3-2-4-7-12/h10,12,16H,2-9,11H2,1H3
InChIKeyFPCJFMDIUJGJCE-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.59
Rot. Bonds1

About methyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate

methyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate (PubChem CID 90808141) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate
PubChem CID90808141
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate
SMILESCOC(=O)N1CCCC2(C=C(C3CCCCC3)NO2)C1
InChIInChI=1S/C15H24N2O3/c1-19-14(18)17-9-5-8-15(11-17)10-13(16-20-15)12-6-3-2-4-7-12/h10,12,16H,2-9,11H2,1H3
InChIKeyFPCJFMDIUJGJCE-UHFFFAOYSA-N
XLogP2.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide
CID 91434651
methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
CID 115269670
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone
CID 91270856
methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate
CID 130711152
methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
CID 70755411
methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
CID 115269783
methyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 70180289
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
CID 123683302
CID 123683302
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251
methyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate
CID 177064461
methyl 4-methylazocane-1-carboxylate
CID 91583832

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate?
The IUPAC name of methyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate (CID 90808141) is methyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate.
What is the SMILES notation for methyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate?
The canonical SMILES for methyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate is COC(=O)N1CCCC2(C=C(C3CCCCC3)NO2)C1.
What is the InChIKey of methyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate?
The InChIKey is FPCJFMDIUJGJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-19-14(18)17-9-5-8-15(11-17)10-13(16-20-15)12-6-3-2-4-7-12/h10,12,16H,2-9,11H2,1H3.
What are the key properties of methyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate?
methyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate is sourced from PubChem (CID 90808141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).