4-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid

C13H19NO3 — CID 168685520

IUPAC4-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESC=CC1CC(=O)N(C2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C13H19NO3/c1-2-9-7-12(15)14(8-9)11-5-3-10(4-6-11)13(16)17/h2,9-11H,1,3-8H2,(H,16,17)
InChIKeyZGXNQFIBPYQOKZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.66
Rot. Bonds3

About 4-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid

4-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 168685520) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID168685520
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESC=CC1CC(=O)N(C2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C13H19NO3/c1-2-9-7-12(15)14(8-9)11-5-3-10(4-6-11)13(16)17/h2,9-11H,1,3-8H2,(H,16,17)
InChIKeyZGXNQFIBPYQOKZ-UHFFFAOYSA-N
XLogP1.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-((S)-1-allyl-5-oxopyrrolidin-2-yl)pent-4-enoic acid
CID 177823745
Trans-4-(2-oxo-pyrrolidin-1-yl)cyclohexanecarboxylic acid
CID 11572026
2-[2-Oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid
CID 70499388
4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid;prop-1-ene
CID 142950436
(2S,4S)-4-methyl-5-prop-2-enylpyrrolidine-1,2-dicarboxylic acid
CID 169713803
(2S,4S)-4-methyl-1-prop-2-enoyl-5-prop-2-enylpyrrolidine-2-carboxylic acid
CID 169779372
2-(5-Oxo-1-prop-2-enylpyrrolidin-2-yl)pent-4-enoic acid
CID 177217695
4-(But-3-enoylamino)cyclohexane-1-carboxylic acid
CID 10584607
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid
CID 46779163
4-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]cyclohexane-1-carboxylic acid
CID 51889712
4-[(2-Cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 60809027
3-(1-(Pent-4-enoyl)piperidin-3-yl)propanoic acid
CID 62678536

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid (CID 168685520) is 4-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid is C=CC1CC(=O)N(C2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 4-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is ZGXNQFIBPYQOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-9-7-12(15)14(8-9)11-5-3-10(4-6-11)13(16)17/h2,9-11H,1,3-8H2,(H,16,17).
What are the key properties of 4-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
4-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 168685520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).