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

C13H18N2O2 — CID 143436317

IUPACN-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC1=CC2CC2C=C1
InChIInChI=1S/C13H18N2O2/c16-13(9-15-3-5-17-6-4-15)14-12-2-1-10-7-11(10)8-12/h1-2,8,10-11H,3-7,9H2,(H,14,16)
InChIKeyOZFWVAYEJFYSCY-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.52
Rot. Bonds3

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

N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide (PubChem CID 143436317) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide
PubChem CID143436317
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC1=CC2CC2C=C1
InChIInChI=1S/C13H18N2O2/c16-13(9-15-3-5-17-6-4-15)14-12-2-1-10-7-11(10)8-12/h1-2,8,10-11H,3-7,9H2,(H,14,16)
InChIKeyOZFWVAYEJFYSCY-UHFFFAOYSA-N
XLogP0.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.52
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?
The IUPAC name of N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide (CID 143436317) is N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NC1=CC2CC2C=C1.
What is the InChIKey of N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide?
The InChIKey is OZFWVAYEJFYSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(9-15-3-5-17-6-4-15)14-12-2-1-10-7-11(10)8-12/h1-2,8,10-11H,3-7,9H2,(H,14,16).
What are the key properties of N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide?
N-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-morpholin-4-ylacetamide has a molecular weight of 234.30 g/mol, XLogP of 0.52, 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 is sourced from PubChem (CID 143436317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).