N-(5-oxo-1,2,3,6,12,12a-hexahydropyrrolo[2,1-c][1,4]benzoxazocin-8-yl)acetamide

C15H18N2O3 — CID 142192933

IUPACN-(5-oxo-1,2,3,6,12,12a-hexahydropyrrolo[2,1-c][1,4]benzoxazocin-8-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CC(=O)N1CCCC1CO2
InChIInChI=1S/C15H18N2O3/c1-10(18)16-12-4-5-14-11(7-12)8-15(19)17-6-2-3-13(17)9-20-14/h4-5,7,13H,2-3,6,8-9H2,1H3,(H,16,18)
InChIKeyOUNDWGHINXLJFN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.57
Rot. Bonds1

About N-(5-oxo-1,2,3,6,12,12a-hexahydropyrrolo[2,1-c][1,4]benzoxazocin-8-yl)acetamide

N-(5-oxo-1,2,3,6,12,12a-hexahydropyrrolo[2,1-c][1,4]benzoxazocin-8-yl)acetamide (PubChem CID 142192933) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(5-oxo-1,2,3,6,12,12a-hexahydropyrrolo[2,1-c][1,4]benzoxazocin-8-yl)acetamide.

Molecular Properties

Compound NameN-(5-oxo-1,2,3,6,12,12a-hexahydropyrrolo[2,1-c][1,4]benzoxazocin-8-yl)acetamide
PubChem CID142192933
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(5-oxo-1,2,3,6,12,12a-hexahydropyrrolo[2,1-c][1,4]benzoxazocin-8-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CC(=O)N1CCCC1CO2
InChIInChI=1S/C15H18N2O3/c1-10(18)16-12-4-5-14-11(7-12)8-15(19)17-6-2-3-13(17)9-20-14/h4-5,7,13H,2-3,6,8-9H2,1H3,(H,16,18)
InChIKeyOUNDWGHINXLJFN-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-1,2,3,6,12,12a-hexahydropyrrolo[2,1-c][1,4]benzoxazocin-8-yl)acetamide?
The IUPAC name of N-(5-oxo-1,2,3,6,12,12a-hexahydropyrrolo[2,1-c][1,4]benzoxazocin-8-yl)acetamide (CID 142192933) is N-(5-oxo-1,2,3,6,12,12a-hexahydropyrrolo[2,1-c][1,4]benzoxazocin-8-yl)acetamide.
What is the SMILES notation for N-(5-oxo-1,2,3,6,12,12a-hexahydropyrrolo[2,1-c][1,4]benzoxazocin-8-yl)acetamide?
The canonical SMILES for N-(5-oxo-1,2,3,6,12,12a-hexahydropyrrolo[2,1-c][1,4]benzoxazocin-8-yl)acetamide is CC(=O)Nc1ccc2c(c1)CC(=O)N1CCCC1CO2.
What is the InChIKey of N-(5-oxo-1,2,3,6,12,12a-hexahydropyrrolo[2,1-c][1,4]benzoxazocin-8-yl)acetamide?
The InChIKey is OUNDWGHINXLJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(18)16-12-4-5-14-11(7-12)8-15(19)17-6-2-3-13(17)9-20-14/h4-5,7,13H,2-3,6,8-9H2,1H3,(H,16,18).
What are the key properties of N-(5-oxo-1,2,3,6,12,12a-hexahydropyrrolo[2,1-c][1,4]benzoxazocin-8-yl)acetamide?
N-(5-oxo-1,2,3,6,12,12a-hexahydropyrrolo[2,1-c][1,4]benzoxazocin-8-yl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-1,2,3,6,12,12a-hexahydropyrrolo[2,1-c][1,4]benzoxazocin-8-yl)acetamide is sourced from PubChem (CID 142192933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).