N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C12H15NO2 — CID 66396917

IUPACN-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCN(CCO)C(=O)C1Cc2ccccc21
InChIInChI=1S/C12H15NO2/c1-13(6-7-14)12(15)11-8-9-4-2-3-5-10(9)11/h2-5,11,14H,6-8H2,1H3
InChIKeyZDEBRVVJDWYOHN-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.78
Rot. Bonds3

About N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 66396917) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID66396917
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCN(CCO)C(=O)C1Cc2ccccc21
InChIInChI=1S/C12H15NO2/c1-13(6-7-14)12(15)11-8-9-4-2-3-5-10(9)11/h2-5,11,14H,6-8H2,1H3
InChIKeyZDEBRVVJDWYOHN-UHFFFAOYSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 66396917) is N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is CN(CCO)C(=O)C1Cc2ccccc21.
What is the InChIKey of N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is ZDEBRVVJDWYOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13(6-7-14)12(15)11-8-9-4-2-3-5-10(9)11/h2-5,11,14H,6-8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 66396917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).