N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide;ethane;molecular hydrogen

C15H26N2O2 — CID 143436316

IUPACN-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide;ethane;molecular hydrogen
SMILESCC.O=C(CN1CCOCC1)NC1=CC2CC2C=C1.[H][H]
InChIInChI=1S/C13H18N2O2.C2H6.H2/c16-13(9-15-3-5-17-6-4-15)14-12-2-1-10-7-11(10)8-12;1-2;/h1-2,8,10-11H,3-7,9H2,(H,14,16);1-2H3;1H
InChIKeySLFOYKOVWQLFKH-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.80
Rot. Bonds3

About N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide;ethane;molecular hydrogen

N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide;ethane;molecular hydrogen (PubChem CID 143436316) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide;ethane;molecular hydrogen
PubChem CID143436316
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide;ethane;molecular hydrogen
SMILESCC.O=C(CN1CCOCC1)NC1=CC2CC2C=C1.[H][H]
InChIInChI=1S/C13H18N2O2.C2H6.H2/c16-13(9-15-3-5-17-6-4-15)14-12-2-1-10-7-11(10)8-12;1-2;/h1-2,8,10-11H,3-7,9H2,(H,14,16);1-2H3;1H
InChIKeySLFOYKOVWQLFKH-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide;ethane;molecular hydrogen?
The IUPAC name of N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide;ethane;molecular hydrogen (CID 143436316) is N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide;ethane;molecular hydrogen.
What is the SMILES notation for N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide;ethane;molecular hydrogen?
The canonical SMILES for N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide;ethane;molecular hydrogen is CC.O=C(CN1CCOCC1)NC1=CC2CC2C=C1.[H][H].
What is the InChIKey of N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide;ethane;molecular hydrogen?
The InChIKey is SLFOYKOVWQLFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.C2H6.H2/c16-13(9-15-3-5-17-6-4-15)14-12-2-1-10-7-11(10)8-12;1-2;/h1-2,8,10-11H,3-7,9H2,(H,14,16);1-2H3;1H.
What are the key properties of N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide;ethane;molecular hydrogen?
N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide;ethane;molecular hydrogen has a molecular weight of 266.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide;ethane;molecular hydrogen is sourced from PubChem (CID 143436316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).