N-(6,6-dimethyl-4-oxooxan-3-yl)acetamide

C9H15NO3 — CID 13182791

IUPACN-(6,6-dimethyl-4-oxooxan-3-yl)acetamide
SMILESCC(=O)NC1COC(C)(C)CC1=O
InChIInChI=1S/C9H15NO3/c1-6(11)10-7-5-13-9(2,3)4-8(7)12/h7H,4-5H2,1-3H3,(H,10,11)
InChIKeyZUOUHCOEIHYQCL-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.26
Rot. Bonds1

About N-(6,6-dimethyl-4-oxooxan-3-yl)acetamide

N-(6,6-dimethyl-4-oxooxan-3-yl)acetamide (PubChem CID 13182791) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-(6,6-dimethyl-4-oxooxan-3-yl)acetamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-4-oxooxan-3-yl)acetamide
PubChem CID13182791
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-(6,6-dimethyl-4-oxooxan-3-yl)acetamide
SMILESCC(=O)NC1COC(C)(C)CC1=O
InChIInChI=1S/C9H15NO3/c1-6(11)10-7-5-13-9(2,3)4-8(7)12/h7H,4-5H2,1-3H3,(H,10,11)
InChIKeyZUOUHCOEIHYQCL-UHFFFAOYSA-N
XLogP0.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-oxooxolan-3-yl)acetamide
CID 123326403
N-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide
CID 130875199
N-[(1S,6R)-2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl]acetamide
CID 90881314
N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]acetamide
CID 163892364
N-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide
CID 131037907
methyl (2S,4S)-4-acetamido-5-oxopyrrolidine-2-carboxylate
CID 45089540
N-(2-methylideneoxolan-3-yl)acetamide;hydrate
CID 142000314
N-(4-aminooxolan-3-yl)acetamide
CID 130680289
(1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione
CID 102033627
4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805
N-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 170034195
N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide
CID 11138618

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyl-4-oxooxan-3-yl)acetamide?
The IUPAC name of N-(6,6-dimethyl-4-oxooxan-3-yl)acetamide (CID 13182791) is N-(6,6-dimethyl-4-oxooxan-3-yl)acetamide.
What is the SMILES notation for N-(6,6-dimethyl-4-oxooxan-3-yl)acetamide?
The canonical SMILES for N-(6,6-dimethyl-4-oxooxan-3-yl)acetamide is CC(=O)NC1COC(C)(C)CC1=O.
What is the InChIKey of N-(6,6-dimethyl-4-oxooxan-3-yl)acetamide?
The InChIKey is ZUOUHCOEIHYQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(11)10-7-5-13-9(2,3)4-8(7)12/h7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-(6,6-dimethyl-4-oxooxan-3-yl)acetamide?
N-(6,6-dimethyl-4-oxooxan-3-yl)acetamide has a molecular weight of 185.22 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethyl-4-oxooxan-3-yl)acetamide is sourced from PubChem (CID 13182791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).