methyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate

C18H23NO3 — CID 14814823

IUPACmethyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate
SMILESCOC(=O)C1N(Cc2ccccc2)CCC12CCCC(=O)C2
InChIInChI=1S/C18H23NO3/c1-22-17(21)16-18(9-5-8-15(20)12-18)10-11-19(16)13-14-6-3-2-4-7-14/h2-4,6-7,16H,5,8-13H2,1H3
InChIKeyDKNNYBFMPASITC-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.56
Rot. Bonds3

About methyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate

methyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate (PubChem CID 14814823) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is methyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate
PubChem CID14814823
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Namemethyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate
SMILESCOC(=O)C1N(Cc2ccccc2)CCC12CCCC(=O)C2
InChIInChI=1S/C18H23NO3/c1-22-17(21)16-18(9-5-8-15(20)12-18)10-11-19(16)13-14-6-3-2-4-7-14/h2-4,6-7,16H,5,8-13H2,1H3
InChIKeyDKNNYBFMPASITC-UHFFFAOYSA-N
XLogP2.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate?
The IUPAC name of methyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate (CID 14814823) is methyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate.
What is the SMILES notation for methyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate?
The canonical SMILES for methyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate is COC(=O)C1N(Cc2ccccc2)CCC12CCCC(=O)C2.
What is the InChIKey of methyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate?
The InChIKey is DKNNYBFMPASITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-22-17(21)16-18(9-5-8-15(20)12-18)10-11-19(16)13-14-6-3-2-4-7-14/h2-4,6-7,16H,5,8-13H2,1H3.
What are the key properties of methyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate?
methyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate is sourced from PubChem (CID 14814823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).