N-hexyl-2-oxooxolane-3-carboxamide

C11H19NO3 — CID 56935692

IUPACN-hexyl-2-oxooxolane-3-carboxamide
SMILESCCCCCCNC(=O)C1CCOC1=O
InChIInChI=1S/C11H19NO3/c1-2-3-4-5-7-12-10(13)9-6-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)
InChIKeyZBCSWQRQTGEWJD-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.25
Rot. Bonds6

About N-hexyl-2-oxooxolane-3-carboxamide

N-hexyl-2-oxooxolane-3-carboxamide (PubChem CID 56935692) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-hexyl-2-oxooxolane-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-2-oxooxolane-3-carboxamide
PubChem CID56935692
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN-hexyl-2-oxooxolane-3-carboxamide
SMILESCCCCCCNC(=O)C1CCOC1=O
InChIInChI=1S/C11H19NO3/c1-2-3-4-5-7-12-10(13)9-6-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)
InChIKeyZBCSWQRQTGEWJD-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-oxooxolane-3-carboxamide?
The IUPAC name of N-hexyl-2-oxooxolane-3-carboxamide (CID 56935692) is N-hexyl-2-oxooxolane-3-carboxamide.
What is the SMILES notation for N-hexyl-2-oxooxolane-3-carboxamide?
The canonical SMILES for N-hexyl-2-oxooxolane-3-carboxamide is CCCCCCNC(=O)C1CCOC1=O.
What is the InChIKey of N-hexyl-2-oxooxolane-3-carboxamide?
The InChIKey is ZBCSWQRQTGEWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-4-5-7-12-10(13)9-6-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of N-hexyl-2-oxooxolane-3-carboxamide?
N-hexyl-2-oxooxolane-3-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-oxooxolane-3-carboxamide is sourced from PubChem (CID 56935692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).