N-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide

C18H28N2O2 — CID 90865727

IUPACN-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide
SMILESCCCC1CCN(C(C)C(=O)NC2CCC=C3CC3C2)C1=O
InChIInChI=1S/C18H28N2O2/c1-3-5-13-8-9-20(18(13)22)12(2)17(21)19-16-7-4-6-14-10-15(14)11-16/h6,12-13,15-16H,3-5,7-11H2,1-2H3,(H,19,21)
InChIKeyQAOAYACXBQKORY-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.64
Rot. Bonds5

About N-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide

N-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide (PubChem CID 90865727) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide
PubChem CID90865727
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide
SMILESCCCC1CCN(C(C)C(=O)NC2CCC=C3CC3C2)C1=O
InChIInChI=1S/C18H28N2O2/c1-3-5-13-8-9-20(18(13)22)12(2)17(21)19-16-7-4-6-14-10-15(14)11-16/h6,12-13,15-16H,3-5,7-11H2,1-2H3,(H,19,21)
InChIKeyQAOAYACXBQKORY-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide (CID 90865727) is N-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide is CCCC1CCN(C(C)C(=O)NC2CCC=C3CC3C2)C1=O.
What is the InChIKey of N-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide?
The InChIKey is QAOAYACXBQKORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-5-13-8-9-20(18(13)22)12(2)17(21)19-16-7-4-6-14-10-15(14)11-16/h6,12-13,15-16H,3-5,7-11H2,1-2H3,(H,19,21).
What are the key properties of N-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide?
N-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 90865727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).