2-hydroxy-2,3-dimethyl-1-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)butan-1-one

C14H25NO4 — CID 136538747

IUPAC2-hydroxy-2,3-dimethyl-1-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)butan-1-one
SMILESCC1OCCC12CN(C(=O)C(C)(O)C(C)C)CCO2
InChIInChI=1S/C14H25NO4/c1-10(2)13(4,17)12(16)15-6-8-19-14(9-15)5-7-18-11(14)3/h10-11,17H,5-9H2,1-4H3
InChIKeyZICRDOKOHQQWLR-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.80
Rot. Bonds2

About 2-hydroxy-2,3-dimethyl-1-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)butan-1-one

2-hydroxy-2,3-dimethyl-1-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)butan-1-one (PubChem CID 136538747) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-hydroxy-2,3-dimethyl-1-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)butan-1-one.

Molecular Properties

Compound Name2-hydroxy-2,3-dimethyl-1-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)butan-1-one
PubChem CID136538747
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-hydroxy-2,3-dimethyl-1-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)butan-1-one
SMILESCC1OCCC12CN(C(=O)C(C)(O)C(C)C)CCO2
InChIInChI=1S/C14H25NO4/c1-10(2)13(4,17)12(16)15-6-8-19-14(9-15)5-7-18-11(14)3/h10-11,17H,5-9H2,1-4H3
InChIKeyZICRDOKOHQQWLR-UHFFFAOYSA-N
XLogP0.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(Oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid
CID 55218655
[2-(Hydroxymethyl)morpholin-4-yl]-(2-methyloxolan-3-yl)methanone
CID 81208221
4-[(3-Hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione
CID 106103094
1-[(3-Hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one
CID 106103121
1-[(3-Hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione
CID 106103133
N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethyloxolane-3-carboxamide
CID 113654834
[2-(Hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyloxolan-3-yl)methanone
CID 113754603
N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide
CID 114094513
1-[(3-Hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpiperidine-2,6-dione
CID 114143763
[6-(Hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-3-yl)methanone
CID 114778307
[6-(Hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyloxolan-2-yl)methanone
CID 114778389
N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide
CID 114951394

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,3-dimethyl-1-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)butan-1-one?
The IUPAC name of 2-hydroxy-2,3-dimethyl-1-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)butan-1-one (CID 136538747) is 2-hydroxy-2,3-dimethyl-1-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)butan-1-one.
What is the SMILES notation for 2-hydroxy-2,3-dimethyl-1-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)butan-1-one?
The canonical SMILES for 2-hydroxy-2,3-dimethyl-1-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)butan-1-one is CC1OCCC12CN(C(=O)C(C)(O)C(C)C)CCO2.
What is the InChIKey of 2-hydroxy-2,3-dimethyl-1-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)butan-1-one?
The InChIKey is ZICRDOKOHQQWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(2)13(4,17)12(16)15-6-8-19-14(9-15)5-7-18-11(14)3/h10-11,17H,5-9H2,1-4H3.
What are the key properties of 2-hydroxy-2,3-dimethyl-1-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)butan-1-one?
2-hydroxy-2,3-dimethyl-1-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)butan-1-one has a molecular weight of 271.36 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,3-dimethyl-1-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)butan-1-one is sourced from PubChem (CID 136538747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).