N-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide

C11H19NO2 — CID 157037385

IUPACN-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide
SMILESCC(=O)N(CCO)CC1CC=CCC1
InChIInChI=1S/C11H19NO2/c1-10(14)12(7-8-13)9-11-5-3-2-4-6-11/h2-3,11,13H,4-9H2,1H3
InChIKeySGHRVVYPMVVRIT-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.18
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide

N-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 157037385) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide
PubChem CID157037385
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide
SMILESCC(=O)N(CCO)CC1CC=CCC1
InChIInChI=1S/C11H19NO2/c1-10(14)12(7-8-13)9-11-5-3-2-4-6-11/h2-3,11,13H,4-9H2,1H3
InChIKeySGHRVVYPMVVRIT-UHFFFAOYSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide (CID 157037385) is N-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide is CC(=O)N(CCO)CC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is SGHRVVYPMVVRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(14)12(7-8-13)9-11-5-3-2-4-6-11/h2-3,11,13H,4-9H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide?
N-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 197.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 157037385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).