(2S)-N-hexyl-5-oxopyrrolidine-2-carboxamide

C11H20N2O2 — CID 54158437

IUPAC(2S)-N-hexyl-5-oxopyrrolidine-2-carboxamide
SMILESCCCCCCNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H20N2O2/c1-2-3-4-5-8-12-11(15)9-6-7-10(14)13-9/h9H,2-8H2,1H3,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKeyOMSBLEXGRIBBNL-VIFPVBQESA-N
MW212.29 g/mol
LogP0.96
Rot. Bonds6

About (2S)-N-hexyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-hexyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 54158437) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2S)-N-hexyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-hexyl-5-oxopyrrolidine-2-carboxamide
PubChem CID54158437
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(2S)-N-hexyl-5-oxopyrrolidine-2-carboxamide
SMILESCCCCCCNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H20N2O2/c1-2-3-4-5-8-12-11(15)9-6-7-10(14)13-9/h9H,2-8H2,1H3,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKeyOMSBLEXGRIBBNL-VIFPVBQESA-N
XLogP0.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2S)-N-hexyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-hexyl-5-oxopyrrolidine-2-carboxamide (CID 54158437) is (2S)-N-hexyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-hexyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-hexyl-5-oxopyrrolidine-2-carboxamide is CCCCCCNC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-hexyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is OMSBLEXGRIBBNL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-3-4-5-8-12-11(15)9-6-7-10(14)13-9/h9H,2-8H2,1H3,(H,12,15)(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-N-hexyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-hexyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hexyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 54158437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).