2-(cyclohexen-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide

C12H21NO2 — CID 63562697

IUPAC2-(cyclohexen-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)CC1=CCCCC1
InChIInChI=1S/C12H21NO2/c1-2-13(8-9-14)12(15)10-11-6-4-3-5-7-11/h6,14H,2-5,7-10H2,1H3
InChIKeyXVKCZVIJSRCVAP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.72
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide

2-(cyclohexen-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide (PubChem CID 63562697) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
PubChem CID63562697
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(cyclohexen-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)CC1=CCCCC1
InChIInChI=1S/C12H21NO2/c1-2-13(8-9-14)12(15)10-11-6-4-3-5-7-11/h6,14H,2-5,7-10H2,1H3
InChIKeyXVKCZVIJSRCVAP-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.72
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 2-(cyclohexen-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide (CID 63562697) is 2-(cyclohexen-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide is CCN(CCO)C(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is XVKCZVIJSRCVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-13(8-9-14)12(15)10-11-6-4-3-5-7-11/h6,14H,2-5,7-10H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
2-(cyclohexen-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 211.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 63562697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).