2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one

C16H24N2O3 — CID 131688663

IUPAC2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCCCN2C(=O)C2[C@H]3COC[C@@H]23)CC1=O
InChIInChI=1S/C16H24N2O3/c1-2-17-10-16(7-13(17)19)5-3-4-6-18(16)15(20)14-11-8-21-9-12(11)14/h11-12,14H,2-10H2,1H3/t11-,12+,14?,16?
InChIKeyCTTJWTMSFWSGHI-FFMGESDNSA-N
MW292.38 g/mol
LogP0.88
Rot. Bonds2

About 2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one

2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one (PubChem CID 131688663) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one
PubChem CID131688663
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCCCN2C(=O)C2[C@H]3COC[C@@H]23)CC1=O
InChIInChI=1S/C16H24N2O3/c1-2-17-10-16(7-13(17)19)5-3-4-6-18(16)15(20)14-11-8-21-9-12(11)14/h11-12,14H,2-10H2,1H3/t11-,12+,14?,16?
InChIKeyCTTJWTMSFWSGHI-FFMGESDNSA-N
XLogP0.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 131688661
(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
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
2-[(6-methyl-2-pyridinyl)methyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131687291
ethyl 7-[(1S,5R)-6-(1-azaspiro[3.3]heptane-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 137360337
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
(5S)-10-acetyl-2-ethyl-7-(oxane-4-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360196
methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate
CID 97274984
2-methyl-1-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]propan-1-one
CID 131684144
6-(furan-2-carbonyl)-2-methyl-2,6-diazaspiro[4.5]decan-3-one
CID 134073885
(5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 97484451
(5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one
CID 97286093

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one (CID 131688663) is 2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one is CCN1CC2(CCCCN2C(=O)C2[C@H]3COC[C@@H]23)CC1=O.
What is the InChIKey of 2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one?
The InChIKey is CTTJWTMSFWSGHI-FFMGESDNSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-17-10-16(7-13(17)19)5-3-4-6-18(16)15(20)14-11-8-21-9-12(11)14/h11-12,14H,2-10H2,1H3/t11-,12+,14?,16?.
What are the key properties of 2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one?
2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one has a molecular weight of 292.38 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 131688663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).