6-(2-oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide

C12H20N2O2 — CID 57089533

IUPAC6-(2-oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide
SMILESCC(C)=C1CN(CCCCCC(N)=O)C1=O
InChIInChI=1S/C12H20N2O2/c1-9(2)10-8-14(12(10)16)7-5-3-4-6-11(13)15/h3-8H2,1-2H3,(H2,13,15)
InChIKeyVAFXBYXCZRHOAC-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.21
Rot. Bonds6

About 6-(2-oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide

6-(2-oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide (PubChem CID 57089533) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 6-(2-oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide.

Molecular Properties

Compound Name6-(2-oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide
PubChem CID57089533
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name6-(2-oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide
SMILESCC(C)=C1CN(CCCCCC(N)=O)C1=O
InChIInChI=1S/C12H20N2O2/c1-9(2)10-8-14(12(10)16)7-5-3-4-6-11(13)15/h3-8H2,1-2H3,(H2,13,15)
InChIKeyVAFXBYXCZRHOAC-UHFFFAOYSA-N
XLogP1.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide?
The IUPAC name of 6-(2-oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide (CID 57089533) is 6-(2-oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide.
What is the SMILES notation for 6-(2-oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide?
The canonical SMILES for 6-(2-oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide is CC(C)=C1CN(CCCCCC(N)=O)C1=O.
What is the InChIKey of 6-(2-oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide?
The InChIKey is VAFXBYXCZRHOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)10-8-14(12(10)16)7-5-3-4-6-11(13)15/h3-8H2,1-2H3,(H2,13,15).
What are the key properties of 6-(2-oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide?
6-(2-oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide has a molecular weight of 224.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide is sourced from PubChem (CID 57089533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).