6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

C15H22N2O4 — CID 17379032

IUPAC6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C15H22N2O4/c18-13-7-3-9-17(13)10-4-8-16-14(19)11-5-1-2-6-12(11)15(20)21/h1-2,11-12H,3-10H2,(H,16,19)(H,20,21)
InChIKeyIOAYAFXPDNRAHS-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.78
Rot. Bonds6

About 6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 17379032) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID17379032
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C15H22N2O4/c18-13-7-3-9-17(13)10-4-8-16-14(19)11-5-1-2-6-12(11)15(20)21/h1-2,11-12H,3-10H2,(H,16,19)(H,20,21)
InChIKeyIOAYAFXPDNRAHS-UHFFFAOYSA-N
XLogP0.78
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 4659978
6-(Pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 645904
6-[(1-Propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6470296
3-{[3-(2-Oxopyrrolidin-1-yl)propyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 17381921
6-(Pentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 4055137
6-Allylcarbamoyl-cyclohex-3-enecarboxylic acid
CID 350821
6-(Cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 2901796
3,4-Dimethyl-6-{[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
CID 17379031
3-Cyclohexene-1-carboxylic acid, 6-(((3-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)propyl)amino)carbonyl)-
CID 14458356
6-{[(2-Ethylhexyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid
CID 2932169
6-(Diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 21948
6-(Cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 2931920

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 17379032) is 6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid is O=C(O)C1CC=CCC1C(=O)NCCCN1CCCC1=O.
What is the InChIKey of 6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is IOAYAFXPDNRAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-13-7-3-9-17(13)10-4-8-16-14(19)11-5-1-2-6-12(11)15(20)21/h1-2,11-12H,3-10H2,(H,16,19)(H,20,21).
What are the key properties of 6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 17379032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).