4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid

C13H19NO3 — CID 142950437

IUPAC4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid
SMILESC/C=C1\CCC(=O)N1C1CCC(C(=O)O)CC1
InChIInChI=1S/C13H19NO3/c1-2-10-7-8-12(15)14(10)11-5-3-9(4-6-11)13(16)17/h2,9,11H,3-8H2,1H3,(H,16,17)/b10-2+
InChIKeyGOBLJOFQPMZYOW-WTDSWWLTSA-N
MW237.30 g/mol
LogP2.16
Rot. Bonds2

About 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid

4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 142950437) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid
PubChem CID142950437
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid
SMILESC/C=C1\CCC(=O)N1C1CCC(C(=O)O)CC1
InChIInChI=1S/C13H19NO3/c1-2-10-7-8-12(15)14(10)11-5-3-9(4-6-11)13(16)17/h2,9,11H,3-8H2,1H3,(H,16,17)/b10-2+
InChIKeyGOBLJOFQPMZYOW-WTDSWWLTSA-N
XLogP2.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(E)-4-cyclohexylhept-4-enoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 70326649
4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid;prop-1-ene
CID 142950436
3-(2-Pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid
CID 145799479
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-[Cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60810187
4-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]cyclohexane-1-carboxylic acid
CID 93329824
4-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]cyclohexane-1-carboxylic acid
CID 98064149
4-[[2-[Cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 115281229
4-(4-Ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 168685520

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid (CID 142950437) is 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid is C/C=C1\CCC(=O)N1C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is GOBLJOFQPMZYOW-WTDSWWLTSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-10-7-8-12(15)14(10)11-5-3-9(4-6-11)13(16)17/h2,9,11H,3-8H2,1H3,(H,16,17)/b10-2+.
What are the key properties of 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 142950437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).