N-(2-hydroxyethyl)-N-propylcyclopent-3-ene-1-carboxamide

C11H19NO2 — CID 64767368

IUPACN-(2-hydroxyethyl)-N-propylcyclopent-3-ene-1-carboxamide
SMILESCCCN(CCO)C(=O)C1CC=CC1
InChIInChI=1S/C11H19NO2/c1-2-7-12(8-9-13)11(14)10-5-3-4-6-10/h3-4,10,13H,2,5-9H2,1H3
InChIKeyDJCOQTNJMGQKFJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.18
Rot. Bonds5

About N-(2-hydroxyethyl)-N-propylcyclopent-3-ene-1-carboxamide

N-(2-hydroxyethyl)-N-propylcyclopent-3-ene-1-carboxamide (PubChem CID 64767368) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propylcyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propylcyclopent-3-ene-1-carboxamide
PubChem CID64767368
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(2-hydroxyethyl)-N-propylcyclopent-3-ene-1-carboxamide
SMILESCCCN(CCO)C(=O)C1CC=CC1
InChIInChI=1S/C11H19NO2/c1-2-7-12(8-9-13)11(14)10-5-3-4-6-10/h3-4,10,13H,2,5-9H2,1H3
InChIKeyDJCOQTNJMGQKFJ-UHFFFAOYSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-N-propylcyclopent-3-ene-1-carboxamide 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)-N-propylcyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propylcyclopent-3-ene-1-carboxamide (CID 64767368) is N-(2-hydroxyethyl)-N-propylcyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propylcyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propylcyclopent-3-ene-1-carboxamide is CCCN(CCO)C(=O)C1CC=CC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-propylcyclopent-3-ene-1-carboxamide?
The InChIKey is DJCOQTNJMGQKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-7-12(8-9-13)11(14)10-5-3-4-6-10/h3-4,10,13H,2,5-9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-propylcyclopent-3-ene-1-carboxamide?
N-(2-hydroxyethyl)-N-propylcyclopent-3-ene-1-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propylcyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64767368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).