2-(4,6,7,8-tetrahydro-2H-cyclopenta[g][1,3]benzoxazin-3-yl)acetamide

C13H16N2O2 — CID 125473941

IUPAC2-(4,6,7,8-tetrahydro-2H-cyclopenta[g][1,3]benzoxazin-3-yl)acetamide
SMILESNC(=O)CN1COc2cc3c(cc2C1)CCC3
InChIInChI=1S/C13H16N2O2/c14-13(16)7-15-6-11-4-9-2-1-3-10(9)5-12(11)17-8-15/h4-5H,1-3,6-8H2,(H2,14,16)
InChIKeyFYDSEIXYOXXYML-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.81
Rot. Bonds2

About 2-(4,6,7,8-tetrahydro-2H-cyclopenta[g][1,3]benzoxazin-3-yl)acetamide

2-(4,6,7,8-tetrahydro-2H-cyclopenta[g][1,3]benzoxazin-3-yl)acetamide (PubChem CID 125473941) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(4,6,7,8-tetrahydro-2H-cyclopenta[g][1,3]benzoxazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4,6,7,8-tetrahydro-2H-cyclopenta[g][1,3]benzoxazin-3-yl)acetamide
PubChem CID125473941
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(4,6,7,8-tetrahydro-2H-cyclopenta[g][1,3]benzoxazin-3-yl)acetamide
SMILESNC(=O)CN1COc2cc3c(cc2C1)CCC3
InChIInChI=1S/C13H16N2O2/c14-13(16)7-15-6-11-4-9-2-1-3-10(9)5-12(11)17-8-15/h4-5H,1-3,6-8H2,(H2,14,16)
InChIKeyFYDSEIXYOXXYML-UHFFFAOYSA-N
XLogP0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6,7,8-tetrahydro-2H-cyclopenta[g][1,3]benzoxazin-3-yl)acetamide?
The IUPAC name of 2-(4,6,7,8-tetrahydro-2H-cyclopenta[g][1,3]benzoxazin-3-yl)acetamide (CID 125473941) is 2-(4,6,7,8-tetrahydro-2H-cyclopenta[g][1,3]benzoxazin-3-yl)acetamide.
What is the SMILES notation for 2-(4,6,7,8-tetrahydro-2H-cyclopenta[g][1,3]benzoxazin-3-yl)acetamide?
The canonical SMILES for 2-(4,6,7,8-tetrahydro-2H-cyclopenta[g][1,3]benzoxazin-3-yl)acetamide is NC(=O)CN1COc2cc3c(cc2C1)CCC3.
What is the InChIKey of 2-(4,6,7,8-tetrahydro-2H-cyclopenta[g][1,3]benzoxazin-3-yl)acetamide?
The InChIKey is FYDSEIXYOXXYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-13(16)7-15-6-11-4-9-2-1-3-10(9)5-12(11)17-8-15/h4-5H,1-3,6-8H2,(H2,14,16).
What are the key properties of 2-(4,6,7,8-tetrahydro-2H-cyclopenta[g][1,3]benzoxazin-3-yl)acetamide?
2-(4,6,7,8-tetrahydro-2H-cyclopenta[g][1,3]benzoxazin-3-yl)acetamide has a molecular weight of 232.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6,7,8-tetrahydro-2H-cyclopenta[g][1,3]benzoxazin-3-yl)acetamide is sourced from PubChem (CID 125473941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).