1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone

C9H15NO2 — CID 45086479

IUPAC1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone
SMILESCC(=O)N1O[C@@]12CCC[C@H](C)C2
InChIInChI=1S/C9H15NO2/c1-7-4-3-5-9(6-7)10(12-9)8(2)11/h7H,3-6H2,1-2H3/t7-,9+,10?/m0/s1
InChIKeyLOUXZWZQLJJSPV-CEVVRISASA-N
MW169.22 g/mol
LogP1.69
Rot. Bonds

About 1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone

1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone (PubChem CID 45086479) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone
PubChem CID45086479
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone
SMILESCC(=O)N1O[C@@]12CCC[C@H](C)C2
InChIInChI=1S/C9H15NO2/c1-7-4-3-5-9(6-7)10(12-9)8(2)11/h7H,3-6H2,1-2H3/t7-,9+,10?/m0/s1
InChIKeyLOUXZWZQLJJSPV-CEVVRISASA-N
XLogP1.69
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1-hydroxy-3-methylcyclohexyl) acetate
CID 174818482
(3S,5S,7R)-4-(cyclopentanecarbonyl)-7-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 99768198
7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid
CID 165459999
1,3-dimethylcyclohexane-1-carboxylic acid;gallane
CID 173230455
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1,3-dimethylcyclohexane-1-carboxamide
CID 71434485
(1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone
CID 116579256
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-methylbut-2-en-1-one
CID 79189501
ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone
CID 169125133
[(3R)-1-(acetyloxymethyl)-3-methylcyclohexyl]methyl acetate
CID 168973953
3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 43803240
1-(cyclobutylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82237602

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone?
The IUPAC name of 1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone (CID 45086479) is 1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone.
What is the SMILES notation for 1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone?
The canonical SMILES for 1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone is CC(=O)N1O[C@@]12CCC[C@H](C)C2.
What is the InChIKey of 1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone?
The InChIKey is LOUXZWZQLJJSPV-CEVVRISASA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-4-3-5-9(6-7)10(12-9)8(2)11/h7H,3-6H2,1-2H3/t7-,9+,10?/m0/s1.
What are the key properties of 1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone?
1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone has a molecular weight of 169.22 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone is sourced from PubChem (CID 45086479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).