7-(4-ethenyl-2-oxopyrrolidin-1-yl)heptanoic acid

C13H21NO3 — CID 168685205

IUPAC7-(4-ethenyl-2-oxopyrrolidin-1-yl)heptanoic acid
SMILESC=CC1CC(=O)N(CCCCCCC(=O)O)C1
InChIInChI=1S/C13H21NO3/c1-2-11-9-12(15)14(10-11)8-6-4-3-5-7-13(16)17/h2,11H,1,3-10H2,(H,16,17)
InChIKeyFXYIVRWUJSBFGP-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.06
Rot. Bonds8

About 7-(4-ethenyl-2-oxopyrrolidin-1-yl)heptanoic acid

7-(4-ethenyl-2-oxopyrrolidin-1-yl)heptanoic acid (PubChem CID 168685205) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 7-(4-ethenyl-2-oxopyrrolidin-1-yl)heptanoic acid.

Molecular Properties

Compound Name7-(4-ethenyl-2-oxopyrrolidin-1-yl)heptanoic acid
PubChem CID168685205
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name7-(4-ethenyl-2-oxopyrrolidin-1-yl)heptanoic acid
SMILESC=CC1CC(=O)N(CCCCCCC(=O)O)C1
InChIInChI=1S/C13H21NO3/c1-2-11-9-12(15)14(10-11)8-6-4-3-5-7-13(16)17/h2,11H,1,3-10H2,(H,16,17)
InChIKeyFXYIVRWUJSBFGP-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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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Related Compounds

7-(5-Ethenyl-3,3-difluoro-2-oxopyrrolidin-1-yl)heptanoic acid
CID 123820107
(S)-2-((S)-1-allyl-5-oxopyrrolidin-2-yl)pent-4-enoic acid
CID 177823745
(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-ethylhexanoic acid
CID 66725818
2-Ethenyl-18-(1-ethenyl-2-oxopyrrolidin-3-yl)octadecanoic acid
CID 67741465
2-[Hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 68234519
ethane;(E)-5-methylnon-2-en-7-yne;7-(2-oxopyrrolidin-1-yl)heptanoic acid
CID 144708776
3-ethyl-1-methylpyrrolidin-2-one;(Z)-octadec-9-enoic acid
CID 155338356
(1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 163520790
7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid
CID 167175811
1-Octylpyrrolidin-2-one;tetradec-9-enoic acid
CID 174941397
2-(5-Oxo-1-prop-2-enylpyrrolidin-2-yl)pent-4-enoic acid
CID 177217695
6-(3-Dodec-1-enyl-2-oxopyrrolidin-1-yl)hexanoic acid
CID 177938873

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethenyl-2-oxopyrrolidin-1-yl)heptanoic acid?
The IUPAC name of 7-(4-ethenyl-2-oxopyrrolidin-1-yl)heptanoic acid (CID 168685205) is 7-(4-ethenyl-2-oxopyrrolidin-1-yl)heptanoic acid.
What is the SMILES notation for 7-(4-ethenyl-2-oxopyrrolidin-1-yl)heptanoic acid?
The canonical SMILES for 7-(4-ethenyl-2-oxopyrrolidin-1-yl)heptanoic acid is C=CC1CC(=O)N(CCCCCCC(=O)O)C1.
What is the InChIKey of 7-(4-ethenyl-2-oxopyrrolidin-1-yl)heptanoic acid?
The InChIKey is FXYIVRWUJSBFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-11-9-12(15)14(10-11)8-6-4-3-5-7-13(16)17/h2,11H,1,3-10H2,(H,16,17).
What are the key properties of 7-(4-ethenyl-2-oxopyrrolidin-1-yl)heptanoic acid?
7-(4-ethenyl-2-oxopyrrolidin-1-yl)heptanoic acid has a molecular weight of 239.31 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethenyl-2-oxopyrrolidin-1-yl)heptanoic acid is sourced from PubChem (CID 168685205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).