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

C11H19NO3 — CID 5057188

IUPACN-(2-oxooxolan-3-yl)heptanamide
SMILESCCCCCCC(=O)NC1CCOC1=O
InChIInChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)
InChIKeyFTMZLSDESAOPSZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.39
Rot. Bonds6

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

N-(2-oxooxolan-3-yl)heptanamide (PubChem CID 5057188) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(2-oxooxolan-3-yl)heptanamide.

Molecular Properties

Compound NameN-(2-oxooxolan-3-yl)heptanamide
PubChem CID5057188
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN-(2-oxooxolan-3-yl)heptanamide
SMILESCCCCCCC(=O)NC1CCOC1=O
InChIInChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)
InChIKeyFTMZLSDESAOPSZ-UHFFFAOYSA-N
XLogP1.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of N-(2-oxooxolan-3-yl)heptanamide?
The IUPAC name of N-(2-oxooxolan-3-yl)heptanamide (CID 5057188) is N-(2-oxooxolan-3-yl)heptanamide.
What is the SMILES notation for N-(2-oxooxolan-3-yl)heptanamide?
The canonical SMILES for N-(2-oxooxolan-3-yl)heptanamide is CCCCCCC(=O)NC1CCOC1=O.
What is the InChIKey of N-(2-oxooxolan-3-yl)heptanamide?
The InChIKey is FTMZLSDESAOPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of N-(2-oxooxolan-3-yl)heptanamide?
N-(2-oxooxolan-3-yl)heptanamide has a molecular weight of 213.28 g/mol, XLogP of 1.39, 6 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)heptanamide is sourced from PubChem (CID 5057188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).