1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone

C11H19NO — CID 177059693

IUPAC1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone
SMILESCC(=O)[C@H]1CC2(CCCC2)CN1C
InChIInChI=1S/C11H19NO/c1-9(13)10-7-11(8-12(10)2)5-3-4-6-11/h10H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyQDRIMFKYOUFHQV-SNVBAGLBSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds1

About 1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone

1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone (PubChem CID 177059693) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone
PubChem CID177059693
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone
SMILESCC(=O)[C@H]1CC2(CCCC2)CN1C
InChIInChI=1S/C11H19NO/c1-9(13)10-7-11(8-12(10)2)5-3-4-6-11/h10H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyQDRIMFKYOUFHQV-SNVBAGLBSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone
CID 143643613
ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone
CID 143738811
molecular hydrogen;1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethanone
CID 177059296
(6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde
CID 89263594
2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid
CID 163580304
1-[3-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone
CID 157037220
1-[(3S,4aS,6R,8aR)-6-hydroxy-2,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-3-yl]ethanone
CID 58845241
carbanide;dichloro(ethylidene)ruthenium;1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone;1-[(2S)-1-methyl-4,4-bis(prop-2-enyl)pyrrolidin-2-yl]ethanone
CID 158635427
(3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane
CID 164942004
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid
CID 118990694
1-(2-azaspiro[4.4]nonan-3-yl)ethanone
CID 20647146
tert-butyl (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carboxylate;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 158632210

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone?
The IUPAC name of 1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone (CID 177059693) is 1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone.
What is the SMILES notation for 1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone?
The canonical SMILES for 1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone is CC(=O)[C@H]1CC2(CCCC2)CN1C.
What is the InChIKey of 1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone?
The InChIKey is QDRIMFKYOUFHQV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(13)10-7-11(8-12(10)2)5-3-4-6-11/h10H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone?
1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone has a molecular weight of 181.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone is sourced from PubChem (CID 177059693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).