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

C12H21NO2 — CID 64767369

IUPACN-butyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide
SMILESCCCCN(CCO)C(=O)C1CC=CC1
InChIInChI=1S/C12H21NO2/c1-2-3-8-13(9-10-14)12(15)11-6-4-5-7-11/h4-5,11,14H,2-3,6-10H2,1H3
InChIKeyGHIGLMUYPOSYGJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.57
Rot. Bonds6

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

N-butyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide (PubChem CID 64767369) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide
PubChem CID64767369
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-butyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide
SMILESCCCCN(CCO)C(=O)C1CC=CC1
InChIInChI=1S/C12H21NO2/c1-2-3-8-13(9-10-14)12(15)11-6-4-5-7-11/h4-5,11,14H,2-3,6-10H2,1H3
InChIKeyGHIGLMUYPOSYGJ-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.57
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-butyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide (CID 64767369) is N-butyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide is CCCCN(CCO)C(=O)C1CC=CC1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is GHIGLMUYPOSYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-3-8-13(9-10-14)12(15)11-6-4-5-7-11/h4-5,11,14H,2-3,6-10H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide?
N-butyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64767369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).