7-methyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole

C10H10N2O — CID 54613101

IUPAC7-methyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
SMILESCn1cc2c(c1)-c1oncc1CC2
InChIInChI=1S/C10H10N2O/c1-12-5-8-3-2-7-4-11-13-10(7)9(8)6-12/h4-6H,2-3H2,1H3
InChIKeyXXOHXEOWMUIGTR-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.78
Rot. Bonds

About 7-methyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole

7-methyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole (PubChem CID 54613101) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 7-methyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole.

Molecular Properties

Compound Name7-methyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
PubChem CID54613101
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name7-methyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
SMILESCn1cc2c(c1)-c1oncc1CC2
InChIInChI=1S/C10H10N2O/c1-12-5-8-3-2-7-4-11-13-10(7)9(8)6-12/h4-6H,2-3H2,1H3
InChIKeyXXOHXEOWMUIGTR-UHFFFAOYSA-N
XLogP1.78
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The IUPAC name of 7-methyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole (CID 54613101) is 7-methyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole.
What is the SMILES notation for 7-methyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The canonical SMILES for 7-methyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole is Cn1cc2c(c1)-c1oncc1CC2.
What is the InChIKey of 7-methyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The InChIKey is XXOHXEOWMUIGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-12-5-8-3-2-7-4-11-13-10(7)9(8)6-12/h4-6H,2-3H2,1H3.
What are the key properties of 7-methyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
7-methyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole has a molecular weight of 174.20 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole is sourced from PubChem (CID 54613101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).