4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one

C11H19NO2 — CID 144843383

IUPAC4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one
SMILESCCC(=O)C(C)C1NC(=O)C1C(C)C
InChIInChI=1S/C11H19NO2/c1-5-8(13)7(4)10-9(6(2)3)11(14)12-10/h6-7,9-10H,5H2,1-4H3,(H,12,14)
InChIKeyCBCJYGPUWCFRKG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.37
Rot. Bonds4

About 4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one

4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one (PubChem CID 144843383) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one
PubChem CID144843383
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one
SMILESCCC(=O)C(C)C1NC(=O)C1C(C)C
InChIInChI=1S/C11H19NO2/c1-5-8(13)7(4)10-9(6(2)3)11(14)12-10/h6-7,9-10H,5H2,1-4H3,(H,12,14)
InChIKeyCBCJYGPUWCFRKG-UHFFFAOYSA-N
XLogP1.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (4R)-4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-3-oxopentanoate
CID 11832064
2-[(2S,3R)-3-[(1S)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid
CID 175279308
2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid
CID 175279299
(3R,4R)-3-[(1R)-1-aminoethyl]-4-[(2R)-4-diazo-3-oxopentan-2-yl]azetidin-2-one
CID 175803755
2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid
CID 19933355
(3S,4R)-4-[(2R)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 86342811
3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione
CID 59887449
(4R)-4-[(2R,3R)-3-[(1R)-1-aminoethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoic acid
CID 175279294
2-(oxan-3-yl)pentan-3-one
CID 107135382
(2-oxo-4-propan-2-ylazetidin-3-yl) acetate
CID 22382233
ethyl (E,4R)-4-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2,3-diiodopent-2-enoate
CID 102519854
2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid
CID 13374060

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one?
The IUPAC name of 4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one (CID 144843383) is 4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one.
What is the SMILES notation for 4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one?
The canonical SMILES for 4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one is CCC(=O)C(C)C1NC(=O)C1C(C)C.
What is the InChIKey of 4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one?
The InChIKey is CBCJYGPUWCFRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-8(13)7(4)10-9(6(2)3)11(14)12-10/h6-7,9-10H,5H2,1-4H3,(H,12,14).
What are the key properties of 4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one?
4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxopentan-2-yl)-3-propan-2-ylazetidin-2-one is sourced from PubChem (CID 144843383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).