3-oxo-N-[(2-oxooxolan-3-yl)methyl]hexanamide

C11H17NO4 — CID 130402676

IUPAC3-oxo-N-[(2-oxooxolan-3-yl)methyl]hexanamide
SMILESCCCC(=O)CC(=O)NCC1CCOC1=O
InChIInChI=1S/C11H17NO4/c1-2-3-9(13)6-10(14)12-7-8-4-5-16-11(8)15/h8H,2-7H2,1H3,(H,12,14)
InChIKeyTZTZRJQRODAYKY-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.43
Rot. Bonds6

About 3-oxo-N-[(2-oxooxolan-3-yl)methyl]hexanamide

3-oxo-N-[(2-oxooxolan-3-yl)methyl]hexanamide (PubChem CID 130402676) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-oxo-N-[(2-oxooxolan-3-yl)methyl]hexanamide.

Molecular Properties

Compound Name3-oxo-N-[(2-oxooxolan-3-yl)methyl]hexanamide
PubChem CID130402676
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name3-oxo-N-[(2-oxooxolan-3-yl)methyl]hexanamide
SMILESCCCC(=O)CC(=O)NCC1CCOC1=O
InChIInChI=1S/C11H17NO4/c1-2-3-9(13)6-10(14)12-7-8-4-5-16-11(8)15/h8H,2-7H2,1H3,(H,12,14)
InChIKeyTZTZRJQRODAYKY-UHFFFAOYSA-N
XLogP0.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[(2-oxooxolan-3-yl)methyl]hexanamide?
The IUPAC name of 3-oxo-N-[(2-oxooxolan-3-yl)methyl]hexanamide (CID 130402676) is 3-oxo-N-[(2-oxooxolan-3-yl)methyl]hexanamide.
What is the SMILES notation for 3-oxo-N-[(2-oxooxolan-3-yl)methyl]hexanamide?
The canonical SMILES for 3-oxo-N-[(2-oxooxolan-3-yl)methyl]hexanamide is CCCC(=O)CC(=O)NCC1CCOC1=O.
What is the InChIKey of 3-oxo-N-[(2-oxooxolan-3-yl)methyl]hexanamide?
The InChIKey is TZTZRJQRODAYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-2-3-9(13)6-10(14)12-7-8-4-5-16-11(8)15/h8H,2-7H2,1H3,(H,12,14).
What are the key properties of 3-oxo-N-[(2-oxooxolan-3-yl)methyl]hexanamide?
3-oxo-N-[(2-oxooxolan-3-yl)methyl]hexanamide has a molecular weight of 227.26 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(2-oxooxolan-3-yl)methyl]hexanamide is sourced from PubChem (CID 130402676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).