2-(cyclohexen-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide

C12H21NO2 — CID 63563841

IUPAC2-(cyclohexen-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCC(O)CN(C)C(=O)CC1=CCCCC1
InChIInChI=1S/C12H21NO2/c1-10(14)9-13(2)12(15)8-11-6-4-3-5-7-11/h6,10,14H,3-5,7-9H2,1-2H3
InChIKeyNFFZDYGFICPDMC-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.72
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide

2-(cyclohexen-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide (PubChem CID 63563841) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide
PubChem CID63563841
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(cyclohexen-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCC(O)CN(C)C(=O)CC1=CCCCC1
InChIInChI=1S/C12H21NO2/c1-10(14)9-13(2)12(15)8-11-6-4-3-5-7-11/h6,10,14H,3-5,7-9H2,1-2H3
InChIKeyNFFZDYGFICPDMC-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(2-hydroxypropyl)-N-methylacetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide (CID 63563841) is 2-(cyclohexen-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide is CC(O)CN(C)C(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide?
The InChIKey is NFFZDYGFICPDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(14)9-13(2)12(15)8-11-6-4-3-5-7-11/h6,10,14H,3-5,7-9H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide?
2-(cyclohexen-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide has a molecular weight of 211.30 g/mol, XLogP of 1.72, 4 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-(2-hydroxypropyl)-N-methylacetamide is sourced from PubChem (CID 63563841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).