(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

C17H26N2O3 — CID 131684137

IUPAC(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
SMILESCC[C@H]1N(C(=O)C2[C@H]3COC[C@@H]23)CCC[C@]12CCC(=O)N2C
InChIInChI=1S/C17H26N2O3/c1-3-13-17(7-5-14(20)18(17)2)6-4-8-19(13)16(21)15-11-9-22-10-12(11)15/h11-13,15H,3-10H2,1-2H3/t11-,12+,13-,15?,17+/m1/s1
InChIKeyOSTDTDBWUNKLTG-PCLJWNKXSA-N
MW306.41 g/mol
LogP1.27
Rot. Bonds2

About (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

(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 (PubChem CID 131684137) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID131684137
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(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
SMILESCC[C@H]1N(C(=O)C2[C@H]3COC[C@@H]23)CCC[C@]12CCC(=O)N2C
InChIInChI=1S/C17H26N2O3/c1-3-13-17(7-5-14(20)18(17)2)6-4-8-19(13)16(21)15-11-9-22-10-12(11)15/h11-13,15H,3-10H2,1-2H3/t11-,12+,13-,15?,17+/m1/s1
InChIKeyOSTDTDBWUNKLTG-PCLJWNKXSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (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 with MolForge

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Related Compounds

(5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375565
(5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375561
(5S,10S)-10-ethyl-1-methyl-9-(pyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155837081
(5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
CID 97375553
(5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one
CID 97392437
2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one
CID 131688663
1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131684386
4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 131685100
(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
CID 124818428
(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375583
(5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97369146
(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(pyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155829364

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@H]1N(C(=O)C2[C@H]3COC[C@@H]23)CCC[C@]12CCC(=O)N2C.
What is the InChIKey of (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?
The InChIKey is OSTDTDBWUNKLTG-PCLJWNKXSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-13-17(7-5-14(20)18(17)2)6-4-8-19(13)16(21)15-11-9-22-10-12(11)15/h11-13,15H,3-10H2,1-2H3/t11-,12+,13-,15?,17+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 306.41 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 131684137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).