3-methyl-5-[1-(methylamino)ethyl]oxolan-2-one

C8H15NO2 — CID 59877196

IUPAC3-methyl-5-[1-(methylamino)ethyl]oxolan-2-one
SMILESCNC(C)C1CC(C)C(=O)O1
InChIInChI=1S/C8H15NO2/c1-5-4-7(6(2)9-3)11-8(5)10/h5-7,9H,4H2,1-3H3
InChIKeyAGWQFKZJKQKMGU-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.55
Rot. Bonds2

About 3-methyl-5-[1-(methylamino)ethyl]oxolan-2-one

3-methyl-5-[1-(methylamino)ethyl]oxolan-2-one (PubChem CID 59877196) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-methyl-5-[1-(methylamino)ethyl]oxolan-2-one.

Molecular Properties

Compound Name3-methyl-5-[1-(methylamino)ethyl]oxolan-2-one
PubChem CID59877196
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-methyl-5-[1-(methylamino)ethyl]oxolan-2-one
SMILESCNC(C)C1CC(C)C(=O)O1
InChIInChI=1S/C8H15NO2/c1-5-4-7(6(2)9-3)11-8(5)10/h5-7,9H,4H2,1-3H3
InChIKeyAGWQFKZJKQKMGU-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-Difluoro-5-[(5-methylhexan-2-ylamino)methyl]oxolan-2-one
CID 106492642
N-[1-(4-methyl-5-oxooxolan-2-yl)ethyl]acetamide
CID 20577894
5-(1-Aminoethyl)-3-methyloxolan-2-one
CID 20726918
N-[1-(5-oxooxolan-2-yl)ethyl]acetamide
CID 20736430
Ethyl 3,5-dimethylpyrrolidine-2-carboxylate
CID 21100534
Ethyl 4,5-dimethylpyrrolidine-2-carboxylate
CID 21469590
ethyl (2S,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylate
CID 57089786
(3R,5S)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 58714848
(3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 58714916
N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide
CID 59872962
N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]ethyl]acetamide
CID 59872963
(5R)-3-ethyl-5-(methylaminomethyl)oxolan-2-one
CID 59957763

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-(methylamino)ethyl]oxolan-2-one?
The IUPAC name of 3-methyl-5-[1-(methylamino)ethyl]oxolan-2-one (CID 59877196) is 3-methyl-5-[1-(methylamino)ethyl]oxolan-2-one.
What is the SMILES notation for 3-methyl-5-[1-(methylamino)ethyl]oxolan-2-one?
The canonical SMILES for 3-methyl-5-[1-(methylamino)ethyl]oxolan-2-one is CNC(C)C1CC(C)C(=O)O1.
What is the InChIKey of 3-methyl-5-[1-(methylamino)ethyl]oxolan-2-one?
The InChIKey is AGWQFKZJKQKMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-4-7(6(2)9-3)11-8(5)10/h5-7,9H,4H2,1-3H3.
What are the key properties of 3-methyl-5-[1-(methylamino)ethyl]oxolan-2-one?
3-methyl-5-[1-(methylamino)ethyl]oxolan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-(methylamino)ethyl]oxolan-2-one is sourced from PubChem (CID 59877196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).