N-(2-oxooxolan-3-yl)hexanamide

C10H17NO3 — CID 3462373

IUPACN-(2-oxooxolan-3-yl)hexanamide
SMILESCCCCCC(=O)NC1CCOC1=O
InChIInChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)
InChIKeyZJFKKPDLNLCPNP-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.00
Rot. Bonds5

About N-(2-oxooxolan-3-yl)hexanamide

N-(2-oxooxolan-3-yl)hexanamide (PubChem CID 3462373) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(2-oxooxolan-3-yl)hexanamide.

Molecular Properties

Compound NameN-(2-oxooxolan-3-yl)hexanamide
PubChem CID3462373
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-(2-oxooxolan-3-yl)hexanamide
SMILESCCCCCC(=O)NC1CCOC1=O
InChIInChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)
InChIKeyZJFKKPDLNLCPNP-UHFFFAOYSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.00
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-(2-oxooxolan-3-yl)hexanamide?
The IUPAC name of N-(2-oxooxolan-3-yl)hexanamide (CID 3462373) is N-(2-oxooxolan-3-yl)hexanamide.
What is the SMILES notation for N-(2-oxooxolan-3-yl)hexanamide?
The canonical SMILES for N-(2-oxooxolan-3-yl)hexanamide is CCCCCC(=O)NC1CCOC1=O.
What is the InChIKey of N-(2-oxooxolan-3-yl)hexanamide?
The InChIKey is ZJFKKPDLNLCPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of N-(2-oxooxolan-3-yl)hexanamide?
N-(2-oxooxolan-3-yl)hexanamide has a molecular weight of 199.25 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxooxolan-3-yl)hexanamide is sourced from PubChem (CID 3462373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).