1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one

C14H13NO2 — CID 90154793

IUPAC1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one
SMILESCc1c(C)c2oc(=O)c3ccccc3n2c1C
InChIInChI=1S/C14H13NO2/c1-8-9(2)13-15(10(8)3)12-7-5-4-6-11(12)14(16)17-13/h4-7H,1-3H3
InChIKeyXFYKKMUOIOLUPS-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.97
Rot. Bonds

About 1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one

1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one (PubChem CID 90154793) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one.

Molecular Properties

Compound Name1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one
PubChem CID90154793
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one
SMILESCc1c(C)c2oc(=O)c3ccccc3n2c1C
InChIInChI=1S/C14H13NO2/c1-8-9(2)13-15(10(8)3)12-7-5-4-6-11(12)14(16)17-13/h4-7H,1-3H3
InChIKeyXFYKKMUOIOLUPS-UHFFFAOYSA-N
XLogP2.97
TPSA34.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one?
The IUPAC name of 1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one (CID 90154793) is 1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one.
What is the SMILES notation for 1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one?
The canonical SMILES for 1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one is Cc1c(C)c2oc(=O)c3ccccc3n2c1C.
What is the InChIKey of 1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one?
The InChIKey is XFYKKMUOIOLUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-8-9(2)13-15(10(8)3)12-7-5-4-6-11(12)14(16)17-13/h4-7H,1-3H3.
What are the key properties of 1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one?
1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one has a molecular weight of 227.26 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one is sourced from PubChem (CID 90154793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).