3-methyl-N-(2-oxooxolan-3-yl)butanamide

C9H15NO3 — CID 23020664

IUPAC3-methyl-N-(2-oxooxolan-3-yl)butanamide
SMILESCC(C)CC(=O)NC1CCOC1=O
InChIInChI=1S/C9H15NO3/c1-6(2)5-8(11)10-7-3-4-13-9(7)12/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyDUHWGLQNCKHNBY-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.46
Rot. Bonds3

About 3-methyl-N-(2-oxooxolan-3-yl)butanamide

3-methyl-N-(2-oxooxolan-3-yl)butanamide (PubChem CID 23020664) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-methyl-N-(2-oxooxolan-3-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-oxooxolan-3-yl)butanamide
PubChem CID23020664
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-methyl-N-(2-oxooxolan-3-yl)butanamide
SMILESCC(C)CC(=O)NC1CCOC1=O
InChIInChI=1S/C9H15NO3/c1-6(2)5-8(11)10-7-3-4-13-9(7)12/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyDUHWGLQNCKHNBY-UHFFFAOYSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Butyryl-L-homoserine lactone
CID 10130163
N-Hexanoyl-L-Homoserine lactone
CID 10058590
Pai-2
CID 443433
N-(2-oxooxolan-3-yl)acetamide
CID 325257
methyl N-acetylvalinate
CID 301593
N-(2-oxooxolan-3-yl)hexanamide
CID 3462373
N-isovaleryl-L-homoserine lactone
CID 71627311
N-Pentanoyl-L-homoserine lactone
CID 10442410
Methyl N-acetyl-L-valinate
CID 638154
N-(3-Oxobutanoyl)-L-homoserine lactone
CID 10419888
N-(3-Oxobutanoyl)-DL-homoserine lactone
CID 11513882
4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide
CID 100954884

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-oxooxolan-3-yl)butanamide?
The IUPAC name of 3-methyl-N-(2-oxooxolan-3-yl)butanamide (CID 23020664) is 3-methyl-N-(2-oxooxolan-3-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(2-oxooxolan-3-yl)butanamide?
The canonical SMILES for 3-methyl-N-(2-oxooxolan-3-yl)butanamide is CC(C)CC(=O)NC1CCOC1=O.
What is the InChIKey of 3-methyl-N-(2-oxooxolan-3-yl)butanamide?
The InChIKey is DUHWGLQNCKHNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)5-8(11)10-7-3-4-13-9(7)12/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 3-methyl-N-(2-oxooxolan-3-yl)butanamide?
3-methyl-N-(2-oxooxolan-3-yl)butanamide has a molecular weight of 185.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-oxooxolan-3-yl)butanamide is sourced from PubChem (CID 23020664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).