1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid

C15H23NO3 — CID 13104670

IUPAC1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)=CCC/C(C)=C/CN1CC(C(=O)O)CC1=O
InChIInChI=1S/C15H23NO3/c1-11(2)5-4-6-12(3)7-8-16-10-13(15(18)19)9-14(16)17/h5,7,13H,4,6,8-10H2,1-3H3,(H,18,19)/b12-7+
InChIKeyRFNQDZKOVKHFAL-KPKJPENVSA-N
MW265.35 g/mol
LogP2.61
Rot. Bonds6

About 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid

1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 13104670) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID13104670
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)=CCC/C(C)=C/CN1CC(C(=O)O)CC1=O
InChIInChI=1S/C15H23NO3/c1-11(2)5-4-6-12(3)7-8-16-10-13(15(18)19)9-14(16)17/h5,7,13H,4,6,8-10H2,1-3H3,(H,18,19)/b12-7+
InChIKeyRFNQDZKOVKHFAL-KPKJPENVSA-N
XLogP2.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid (CID 13104670) is 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid is CC(C)=CCC/C(C)=C/CN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is RFNQDZKOVKHFAL-KPKJPENVSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)5-4-6-12(3)7-8-16-10-13(15(18)19)9-14(16)17/h5,7,13H,4,6,8-10H2,1-3H3,(H,18,19)/b12-7+.
What are the key properties of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 13104670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).