6-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

C15H23NO4 — CID 61434506

IUPAC6-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCCN(CC1CCCO1)C(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C15H23NO4/c1-2-16(10-11-6-5-9-20-11)14(17)12-7-3-4-8-13(12)15(18)19/h3-4,11-13H,2,5-10H2,1H3,(H,18,19)
InChIKeyOYGNCNORACLWGU-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.68
Rot. Bonds5

About 6-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 61434506) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 6-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID61434506
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name6-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCCN(CC1CCCO1)C(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C15H23NO4/c1-2-16(10-11-6-5-9-20-11)14(17)12-7-3-4-8-13(12)15(18)19/h3-4,11-13H,2,5-10H2,1H3,(H,18,19)
InChIKeyOYGNCNORACLWGU-UHFFFAOYSA-N
XLogP1.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 61434506) is 6-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is CCN(CC1CCCO1)C(=O)C1CC=CCC1C(=O)O.
What is the InChIKey of 6-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is OYGNCNORACLWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-2-16(10-11-6-5-9-20-11)14(17)12-7-3-4-8-13(12)15(18)19/h3-4,11-13H,2,5-10H2,1H3,(H,18,19).
What are the key properties of 6-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 281.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 61434506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).