N-[(3S)-2-oxooxolan-3-yl]nonanamide

C13H23NO3 — CID 56662027

IUPACN-[(3S)-2-oxooxolan-3-yl]nonanamide
SMILESCCCCCCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C13H23NO3/c1-2-3-4-5-6-7-8-12(15)14-11-9-10-17-13(11)16/h11H,2-10H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyOMPXHNXRUVEQDO-NSHDSACASA-N
MW241.33 g/mol
LogP2.17
Rot. Bonds8

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

N-[(3S)-2-oxooxolan-3-yl]nonanamide (PubChem CID 56662027) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]nonanamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]nonanamide
PubChem CID56662027
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]nonanamide
SMILESCCCCCCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C13H23NO3/c1-2-3-4-5-6-7-8-12(15)14-11-9-10-17-13(11)16/h11H,2-10H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyOMPXHNXRUVEQDO-NSHDSACASA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-3-Oxo-Dodecanoyl-L-Homoserine Lactone
CID 3246941
N-dodecanoyl-L-Homoserine lactone
CID 10221437
N-(beta-Oxooctan-1-oyl)homoserine lactone
CID 127293
N-(3-Oxotetradecanoyl)-L-homoserine lactone
CID 9883786
N-(2-Oxotetrahydrofuran-3-YL)octanamide
CID 6914579
N-((3S)-2-oxooxolan-3-yl)decanamide
CID 10131281
N-(3-oxodecanoyl)-L-homoserine lactone
CID 10221060
N-(3-oxohexanoyl)-L-homoserine lactone
CID 688505
N-Butyryl-L-homoserine lactone
CID 10130163
N-Heptanoylhomoserine lactone
CID 443437
N-Hexanoyl-L-Homoserine lactone
CID 10058590
3-oxo-N-(tetrahydro-2-oxo-3-furanyl)hexanamide
CID 119133

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]nonanamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]nonanamide (CID 56662027) is N-[(3S)-2-oxooxolan-3-yl]nonanamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]nonanamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]nonanamide is CCCCCCCCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]nonanamide?
The InChIKey is OMPXHNXRUVEQDO-NSHDSACASA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-3-4-5-6-7-8-12(15)14-11-9-10-17-13(11)16/h11H,2-10H2,1H3,(H,14,15)/t11-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]nonanamide?
N-[(3S)-2-oxooxolan-3-yl]nonanamide has a molecular weight of 241.33 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]nonanamide is sourced from PubChem (CID 56662027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).