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

C17H26N2O2 — CID 97375553

IUPAC(5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2ccc(C)o2)CCC[C@]12CCC(=O)N2C
InChIInChI=1S/C17H26N2O2/c1-4-15-17(10-8-16(20)18(17)3)9-5-11-19(15)12-14-7-6-13(2)21-14/h6-7,15H,4-5,8-12H2,1-3H3/t15-,17-/m0/s1
InChIKeyWFOGTYOZVMLKMD-RDJZCZTQSA-N
MW290.41 g/mol
LogP2.95
Rot. Bonds3

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

(5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97375553) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97375553
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2ccc(C)o2)CCC[C@]12CCC(=O)N2C
InChIInChI=1S/C17H26N2O2/c1-4-15-17(10-8-16(20)18(17)3)9-5-11-19(15)12-14-7-6-13(2)21-14/h6-7,15H,4-5,8-12H2,1-3H3/t15-,17-/m0/s1
InChIKeyWFOGTYOZVMLKMD-RDJZCZTQSA-N
XLogP2.95
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 127023277
(5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one
CID 97392437
(6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373223
(5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375561
(5S,10R)-10-ethyl-1-methyl-9-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,9-diazaspiro[4.5]decan-2-one
CID 131684137
(5R)-1-ethyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97370892
1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione
CID 16762249
2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine
CID 130718603
(5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one
CID 124794901
(5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
CID 124796122
1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131663353
(4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97384138

Frequently Asked Questions

What is the IUPAC name of (5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one (CID 97375553) is (5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one is CC[C@@H]1N(Cc2ccc(C)o2)CCC[C@]12CCC(=O)N2C.
What is the InChIKey of (5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is WFOGTYOZVMLKMD-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-15-17(10-8-16(20)18(17)3)9-5-11-19(15)12-14-7-6-13(2)21-14/h6-7,15H,4-5,8-12H2,1-3H3/t15-,17-/m0/s1.
What are the key properties of (5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
(5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97375553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).