(5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one

C17H26N2O2 — CID 97415459

IUPAC(5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@H]1N(Cc2cc(C)c(C)o2)CCC[C@]12CCC(=O)N2
InChIInChI=1S/C17H26N2O2/c1-4-15-17(8-6-16(20)18-17)7-5-9-19(15)11-14-10-12(2)13(3)21-14/h10,15H,4-9,11H2,1-3H3,(H,18,20)/t15-,17+/m1/s1
InChIKeyXQVWPCRXPTWVKJ-WBVHZDCISA-N
MW290.41 g/mol
LogP2.92
Rot. Bonds3

About (5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one

(5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97415459) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97415459
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@H]1N(Cc2cc(C)c(C)o2)CCC[C@]12CCC(=O)N2
InChIInChI=1S/C17H26N2O2/c1-4-15-17(8-6-16(20)18-17)7-5-9-19(15)11-14-10-12(2)13(3)21-14/h10,15H,4-9,11H2,1-3H3,(H,18,20)/t15-,17+/m1/s1
InChIKeyXQVWPCRXPTWVKJ-WBVHZDCISA-N
XLogP2.92
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one (CID 97415459) is (5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one is CC[C@H]1N(Cc2cc(C)c(C)o2)CCC[C@]12CCC(=O)N2.
What is the InChIKey of (5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is XQVWPCRXPTWVKJ-WBVHZDCISA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-15-17(8-6-16(20)18-17)7-5-9-19(15)11-14-10-12(2)13(3)21-14/h10,15H,4-9,11H2,1-3H3,(H,18,20)/t15-,17+/m1/s1.
What are the key properties of (5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one?
(5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97415459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).