N-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide

C14H21NO3 — CID 44562698

IUPACN-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide
SMILESCC/C=C\CC1C(=O)C=CC1CC(=O)NCCO
InChIInChI=1S/C14H21NO3/c1-2-3-4-5-12-11(6-7-13(12)17)10-14(18)15-8-9-16/h3-4,6-7,11-12,16H,2,5,8-10H2,1H3,(H,15,18)/b4-3-
InChIKeyYOFPTBKZMZZTOI-ARJAWSKDSA-N
MW251.33 g/mol
LogP1.21
Rot. Bonds7

About N-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide

N-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide (PubChem CID 44562698) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide
PubChem CID44562698
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide
SMILESCC/C=C\CC1C(=O)C=CC1CC(=O)NCCO
InChIInChI=1S/C14H21NO3/c1-2-3-4-5-12-11(6-7-13(12)17)10-14(18)15-8-9-16/h3-4,6-7,11-12,16H,2,5,8-10H2,1H3,(H,15,18)/b4-3-
InChIKeyYOFPTBKZMZZTOI-ARJAWSKDSA-N
XLogP1.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide 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 N-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide (CID 44562698) is N-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide is CC/C=C\CC1C(=O)C=CC1CC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide?
The InChIKey is YOFPTBKZMZZTOI-ARJAWSKDSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-3-4-5-12-11(6-7-13(12)17)10-14(18)15-8-9-16/h3-4,6-7,11-12,16H,2,5,8-10H2,1H3,(H,15,18)/b4-3-.
What are the key properties of N-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide?
N-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 44562698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).