N-ethyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide

C10H17NO2 — CID 64767100

IUPACN-ethyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide
SMILESCCN(CCO)C(=O)C1CC=CC1
InChIInChI=1S/C10H17NO2/c1-2-11(7-8-12)10(13)9-5-3-4-6-9/h3-4,9,12H,2,5-8H2,1H3
InChIKeyQQBRMSBZOFZNMF-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.79
Rot. Bonds4

About N-ethyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide

N-ethyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide (PubChem CID 64767100) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide
PubChem CID64767100
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-ethyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide
SMILESCCN(CCO)C(=O)C1CC=CC1
InChIInChI=1S/C10H17NO2/c1-2-11(7-8-12)10(13)9-5-3-4-6-9/h3-4,9,12H,2,5-8H2,1H3
InChIKeyQQBRMSBZOFZNMF-UHFFFAOYSA-N
XLogP0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.79
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-ethyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide (CID 64767100) is N-ethyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide is CCN(CCO)C(=O)C1CC=CC1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is QQBRMSBZOFZNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-11(7-8-12)10(13)9-5-3-4-6-9/h3-4,9,12H,2,5-8H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide?
N-ethyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64767100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).