methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate

C16H24N2O3 — CID 102850104

IUPACmethyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCCC3(CCCNC3)C2)o1
InChIInChI=1S/C16H24N2O3/c1-20-15(19)14-5-4-13(21-14)10-18-9-3-7-16(12-18)6-2-8-17-11-16/h4-5,17H,2-3,6-12H2,1H3
InChIKeyZYJWWQYCXOTGSR-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.03
Rot. Bonds3

About methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate

methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate (PubChem CID 102850104) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate
PubChem CID102850104
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCCC3(CCCNC3)C2)o1
InChIInChI=1S/C16H24N2O3/c1-20-15(19)14-5-4-13(21-14)10-18-9-3-7-16(12-18)6-2-8-17-11-16/h4-5,17H,2-3,6-12H2,1H3
InChIKeyZYJWWQYCXOTGSR-UHFFFAOYSA-N
XLogP2.03
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate (CID 102850104) is methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate is COC(=O)c1ccc(CN2CCCC3(CCCNC3)C2)o1.
What is the InChIKey of methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate?
The InChIKey is ZYJWWQYCXOTGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-15(19)14-5-4-13(21-14)10-18-9-3-7-16(12-18)6-2-8-17-11-16/h4-5,17H,2-3,6-12H2,1H3.
What are the key properties of methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate?
methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate is sourced from PubChem (CID 102850104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).