(5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one

C17H24N2O3 — CID 97375561

IUPAC(5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(C(=O)c2ccoc2C)CCC[C@]12CCC(=O)N2C
InChIInChI=1S/C17H24N2O3/c1-4-14-17(9-6-15(20)18(17)3)8-5-10-19(14)16(21)13-7-11-22-12(13)2/h7,11,14H,4-6,8-10H2,1-3H3/t14-,17-/m0/s1
InChIKeyLUGBYLWHRYFSGH-YOEHRIQHSA-N
MW304.39 g/mol
LogP2.59
Rot. Bonds2

About (5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one

(5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97375561) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97375561
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(C(=O)c2ccoc2C)CCC[C@]12CCC(=O)N2C
InChIInChI=1S/C17H24N2O3/c1-4-14-17(9-6-15(20)18(17)3)8-5-10-19(14)16(21)13-7-11-22-12(13)2/h7,11,14H,4-6,8-10H2,1-3H3/t14-,17-/m0/s1
InChIKeyLUGBYLWHRYFSGH-YOEHRIQHSA-N
XLogP2.59
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 43421327
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-methylfuran-3-yl)methanone
CID 71929594
[2-(chloromethyl)azepan-1-yl]-(2-methylfuran-3-yl)methanone
CID 116639120
[2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 63396449
(2-methylfuran-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95345998
1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493907
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 102787648
3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 63373484
(2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274234
(5R)-9-(2-methylfuran-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724610
(6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97151690

Frequently Asked Questions

What is the IUPAC name of (5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one (CID 97375561) is (5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one is CC[C@@H]1N(C(=O)c2ccoc2C)CCC[C@]12CCC(=O)N2C.
What is the InChIKey of (5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is LUGBYLWHRYFSGH-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-14-17(9-6-15(20)18(17)3)8-5-10-19(14)16(21)13-7-11-22-12(13)2/h7,11,14H,4-6,8-10H2,1-3H3/t14-,17-/m0/s1.
What are the key properties of (5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
(5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 304.39 g/mol, XLogP of 2.59, 2 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-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97375561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).