ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone

C18H37NO — CID 143738811

IUPACethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone
SMILESCC.CC.CC.CC(=O)C1C[C@@]2(CN1C)CC21CCC1
InChIInChI=1S/C12H19NO.3C2H6/c1-9(14)10-6-12(8-13(10)2)7-11(12)4-3-5-11;3*1-2/h10H,3-8H2,1-2H3;3*1-2H3/t10?,12-;;;/m0.../s1
InChIKeyPEZDSPBORXIIJH-VELOCMMOSA-N
MW283.50 g/mol
LogP4.92
Rot. Bonds1

About ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone

ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone (PubChem CID 143738811) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone
PubChem CID143738811
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Nameethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone
SMILESCC.CC.CC.CC(=O)C1C[C@@]2(CN1C)CC21CCC1
InChIInChI=1S/C12H19NO.3C2H6/c1-9(14)10-6-12(8-13(10)2)7-11(12)4-3-5-11;3*1-2/h10H,3-8H2,1-2H3;3*1-2H3/t10?,12-;;;/m0.../s1
InChIKeyPEZDSPBORXIIJH-VELOCMMOSA-N
XLogP4.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.92
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
1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone
CID 177059693
molecular hydrogen;1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethanone
CID 177059296
(6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 90262412
(5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid
CID 59441094
tert-butyl (5R)-5-acetyl-2,2-dibromo-6-azaspiro[2.5]octane-6-carboxylate
CID 170258373
(2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid
CID 131632229
(8S)-7-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-7-azadispiro[3.0.45.14]decane-8-carboxylic acid
CID 170166141
(6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde
CID 89263594
5-acetyl-1-methylpyrrolidin-3-one;ethane
CID 142036222
1,5,5-trimethylpiperidine-2-carboxylic acid
CID 118119871
tert-butyl 2-acetyl-4,4-dimethylpyrrolidine-1-carboxylate
CID 76789699

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone?
The IUPAC name of ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone (CID 143738811) is ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone.
What is the SMILES notation for ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone?
The canonical SMILES for ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone is CC.CC.CC.CC(=O)C1C[C@@]2(CN1C)CC21CCC1.
What is the InChIKey of ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone?
The InChIKey is PEZDSPBORXIIJH-VELOCMMOSA-N. The full InChI is InChI=1S/C12H19NO.3C2H6/c1-9(14)10-6-12(8-13(10)2)7-11(12)4-3-5-11;3*1-2/h10H,3-8H2,1-2H3;3*1-2H3/t10?,12-;;;/m0.../s1.
What are the key properties of ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone?
ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone has a molecular weight of 283.50 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone is sourced from PubChem (CID 143738811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).