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

C13H21NO2 — CID 63565550

IUPAC2-(cyclohexen-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
SMILESO=C(CC1=CCCCC1)N(CCO)C1CC1
InChIInChI=1S/C13H21NO2/c15-9-8-14(12-6-7-12)13(16)10-11-4-2-1-3-5-11/h4,12,15H,1-3,5-10H2
InChIKeyXPLQZFXRCAFDGI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.86
Rot. Bonds5

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

2-(cyclohexen-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide (PubChem CID 63565550) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
PubChem CID63565550
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(cyclohexen-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
SMILESO=C(CC1=CCCCC1)N(CCO)C1CC1
InChIInChI=1S/C13H21NO2/c15-9-8-14(12-6-7-12)13(16)10-11-4-2-1-3-5-11/h4,12,15H,1-3,5-10H2
InChIKeyXPLQZFXRCAFDGI-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.86
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-cyclopropyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide (CID 63565550) is 2-(cyclohexen-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide is O=C(CC1=CCCCC1)N(CCO)C1CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is XPLQZFXRCAFDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-9-8-14(12-6-7-12)13(16)10-11-4-2-1-3-5-11/h4,12,15H,1-3,5-10H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide?
2-(cyclohexen-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.86, 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-cyclopropyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 63565550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).