2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one

C9H15NO3 — CID 131176950

IUPAC2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one
SMILESCCC(O)C(=O)N1CC2(CCO2)C1
InChIInChI=1S/C9H15NO3/c1-2-7(11)8(12)10-5-9(6-10)3-4-13-9/h7,11H,2-6H2,1H3
InChIKeyVUOAOWWPVNDSAF-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.24
Rot. Bonds2

About 2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one

2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one (PubChem CID 131176950) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one
PubChem CID131176950
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one
SMILESCCC(O)C(=O)N1CC2(CCO2)C1
InChIInChI=1S/C9H15NO3/c1-2-7(11)8(12)10-5-9(6-10)3-4-13-9/h7,11H,2-6H2,1H3
InChIKeyVUOAOWWPVNDSAF-UHFFFAOYSA-N
XLogP-0.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
(2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one
CID 99820963
2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 126991157
2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one
CID 122488303
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylbutan-1-one
CID 131218829
N,N-dimethyl-9-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide;ethane
CID 168983702
(2S)-2-hydroxy-1-(9-imino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)-3-phenylpropan-1-one
CID 146114585
(2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 129494213
(2R)-2-amino-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 129499000
2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one
CID 146268020
ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 97449218
2-(methylamino)-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 129496332

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one?
The IUPAC name of 2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one (CID 131176950) is 2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one.
What is the SMILES notation for 2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one?
The canonical SMILES for 2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one is CCC(O)C(=O)N1CC2(CCO2)C1.
What is the InChIKey of 2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one?
The InChIKey is VUOAOWWPVNDSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-7(11)8(12)10-5-9(6-10)3-4-13-9/h7,11H,2-6H2,1H3.
What are the key properties of 2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one?
2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one has a molecular weight of 185.22 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one is sourced from PubChem (CID 131176950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).