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

C16H24N2O3 — CID 131684144

IUPAC2-methyl-1-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC2(C1)CN(C(=O)C1[C@H]3COC[C@@H]13)C2
InChIInChI=1S/C16H24N2O3/c1-10(2)14(19)17-4-3-16(7-17)8-18(9-16)15(20)13-11-5-21-6-12(11)13/h10-13H,3-9H2,1-2H3/t11-,12+,13?
InChIKeySPGXUNRNDGWLOM-FUNVUKJBSA-N
MW292.38 g/mol
LogP0.60
Rot. Bonds2

About 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

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 (PubChem CID 131684144) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-methyl-1-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]propan-1-one
PubChem CID131684144
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-methyl-1-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC2(C1)CN(C(=O)C1[C@H]3COC[C@@H]13)C2
InChIInChI=1S/C16H24N2O3/c1-10(2)14(19)17-4-3-16(7-17)8-18(9-16)15(20)13-11-5-21-6-12(11)13/h10-13H,3-9H2,1-2H3/t11-,12+,13?
InChIKeySPGXUNRNDGWLOM-FUNVUKJBSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one
CID 131684089
[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131684868
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155869639
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride
CID 169493333
3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 169182669
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
CID 130721457
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
2-methyl-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444436
2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
CID 167326865
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131684482
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(=O)N1CCC2(C1)CN(C(=O)C1[C@H]3COC[C@@H]13)C2.
What is the InChIKey of 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?
The InChIKey is SPGXUNRNDGWLOM-FUNVUKJBSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10(2)14(19)17-4-3-16(7-17)8-18(9-16)15(20)13-11-5-21-6-12(11)13/h10-13H,3-9H2,1-2H3/t11-,12+,13?.
What are the key properties of 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?
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 has a molecular weight of 292.38 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 131684144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).