4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine

C10H8N2O — CID 175904431

IUPAC4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine
SMILESC1=COc2c(ccc3c2CN=C3)N1
InChIInChI=1S/C10H8N2O/c1-2-9-10(13-4-3-12-9)8-6-11-5-7(1)8/h1-5,12H,6H2
InChIKeyQCHCEMYQMGVZFB-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.89
Rot. Bonds

About 4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine

4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine (PubChem CID 175904431) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine.

Molecular Properties

Compound Name4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine
PubChem CID175904431
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine
SMILESC1=COc2c(ccc3c2CN=C3)N1
InChIInChI=1S/C10H8N2O/c1-2-9-10(13-4-3-12-9)8-6-11-5-7(1)8/h1-5,12H,6H2
InChIKeyQCHCEMYQMGVZFB-UHFFFAOYSA-N
XLogP1.89
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine?
The IUPAC name of 4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine (CID 175904431) is 4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine.
What is the SMILES notation for 4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine?
The canonical SMILES for 4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine is C1=COc2c(ccc3c2CN=C3)N1.
What is the InChIKey of 4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine?
The InChIKey is QCHCEMYQMGVZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-2-9-10(13-4-3-12-9)8-6-11-5-7(1)8/h1-5,12H,6H2.
What are the key properties of 4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine?
4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine has a molecular weight of 172.19 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine is sourced from PubChem (CID 175904431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).