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

C10H15NO4 — CID 688505

IUPAC3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide
SMILESCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)/t8-/m0/s1
InChIKeyYRYOXRMDHALAFL-QMMMGPOBSA-N
MW213.23 g/mol
LogP0.18
Rot. Bonds5

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

3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide (PubChem CID 688505) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide.

Molecular Properties

Compound Name3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide
PubChem CID688505
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide
SMILESCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)/t8-/m0/s1
InChIKeyYRYOXRMDHALAFL-QMMMGPOBSA-N
XLogP0.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide?
The IUPAC name of 3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide (CID 688505) is 3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide.
What is the SMILES notation for 3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide?
The canonical SMILES for 3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide is CCCC(=O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide?
The InChIKey is YRYOXRMDHALAFL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)/t8-/m0/s1.
What are the key properties of 3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide?
3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide has a molecular weight of 213.23 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide is sourced from PubChem (CID 688505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).