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

C16H25NO3 — CID 142950436

IUPAC4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid;prop-1-ene
SMILESC/C=C1\CCC(=O)N1C1CCC(C(=O)O)CC1.C=CC
InChIInChI=1S/C13H19NO3.C3H6/c1-2-10-7-8-12(15)14(10)11-5-3-9(4-6-11)13(16)17;1-3-2/h2,9,11H,3-8H2,1H3,(H,16,17);3H,1H2,2H3/b10-2+;
InChIKeyUQAGQQJKXXQEDS-JVSGEUHRSA-N
MW279.38 g/mol
LogP3.35
Rot. Bonds2

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

4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid;prop-1-ene (PubChem CID 142950436) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid;prop-1-ene.

Molecular Properties

Compound Name4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid;prop-1-ene
PubChem CID142950436
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid;prop-1-ene
SMILESC/C=C1\CCC(=O)N1C1CCC(C(=O)O)CC1.C=CC
InChIInChI=1S/C13H19NO3.C3H6/c1-2-10-7-8-12(15)14(10)11-5-3-9(4-6-11)13(16)17;1-3-2/h2,9,11H,3-8H2,1H3,(H,16,17);3H,1H2,2H3/b10-2+;
InChIKeyUQAGQQJKXXQEDS-JVSGEUHRSA-N
XLogP3.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.35
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

4-[[(E)-4-cyclohexylhept-4-enoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 70326649
2-[3-(2-Oxopyrrolidin-1-yl)propyl]hexadec-7-enoic acid
CID 123507905
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-[(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-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid
CID 142950437
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;prop-1-ene?
The IUPAC name of 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid;prop-1-ene (CID 142950436) is 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid;prop-1-ene.
What is the SMILES notation for 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid;prop-1-ene?
The canonical SMILES for 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid;prop-1-ene is C/C=C1\CCC(=O)N1C1CCC(C(=O)O)CC1.C=CC.
What is the InChIKey of 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid;prop-1-ene?
The InChIKey is UQAGQQJKXXQEDS-JVSGEUHRSA-N. The full InChI is InChI=1S/C13H19NO3.C3H6/c1-2-10-7-8-12(15)14(10)11-5-3-9(4-6-11)13(16)17;1-3-2/h2,9,11H,3-8H2,1H3,(H,16,17);3H,1H2,2H3/b10-2+;.
What are the key properties of 4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid;prop-1-ene?
4-[(2E)-2-ethylidene-5-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid;prop-1-ene has a molecular weight of 279.38 g/mol, XLogP of 3.35, 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;prop-1-ene is sourced from PubChem (CID 142950436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).