7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid

C13H21NO3 — CID 167175811

IUPAC7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid
SMILESC=C[C@H]1CCC(=O)N1CCCCCCC(=O)O
InChIInChI=1S/C13H21NO3/c1-2-11-8-9-12(15)14(11)10-6-4-3-5-7-13(16)17/h2,11H,1,3-10H2,(H,16,17)/t11-/m0/s1
InChIKeyIAWVTFKKACESNX-NSHDSACASA-N
MW239.31 g/mol
LogP2.20
Rot. Bonds8

About 7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid

7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid (PubChem CID 167175811) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid.

Molecular Properties

Compound Name7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid
PubChem CID167175811
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid
SMILESC=C[C@H]1CCC(=O)N1CCCCCCC(=O)O
InChIInChI=1S/C13H21NO3/c1-2-11-8-9-12(15)14(11)10-6-4-3-5-7-13(16)17/h2,11H,1,3-10H2,(H,16,17)/t11-/m0/s1
InChIKeyIAWVTFKKACESNX-NSHDSACASA-N
XLogP2.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid?
The IUPAC name of 7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid (CID 167175811) is 7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid.
What is the SMILES notation for 7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid?
The canonical SMILES for 7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid is C=C[C@H]1CCC(=O)N1CCCCCCC(=O)O.
What is the InChIKey of 7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid?
The InChIKey is IAWVTFKKACESNX-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-11-8-9-12(15)14(11)10-6-4-3-5-7-13(16)17/h2,11H,1,3-10H2,(H,16,17)/t11-/m0/s1.
What are the key properties of 7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid?
7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid has a molecular weight of 239.31 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid is sourced from PubChem (CID 167175811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).