2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile

C11H7N3O — CID 178076659

IUPAC2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile
SMILESCc1nc2ccc3[nH]cc(C#N)c3c2o1
InChIInChI=1S/C11H7N3O/c1-6-14-9-3-2-8-10(11(9)15-6)7(4-12)5-13-8/h2-3,5,13H,1H3
InChIKeySGAUHEHJQPOHEZ-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.49
Rot. Bonds

About 2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile

2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile (PubChem CID 178076659) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile.

Molecular Properties

Compound Name2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile
PubChem CID178076659
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile
SMILESCc1nc2ccc3[nH]cc(C#N)c3c2o1
InChIInChI=1S/C11H7N3O/c1-6-14-9-3-2-8-10(11(9)15-6)7(4-12)5-13-8/h2-3,5,13H,1H3
InChIKeySGAUHEHJQPOHEZ-UHFFFAOYSA-N
XLogP2.49
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile?
The IUPAC name of 2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile (CID 178076659) is 2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile.
What is the SMILES notation for 2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile?
The canonical SMILES for 2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile is Cc1nc2ccc3[nH]cc(C#N)c3c2o1.
What is the InChIKey of 2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile?
The InChIKey is SGAUHEHJQPOHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c1-6-14-9-3-2-8-10(11(9)15-6)7(4-12)5-13-8/h2-3,5,13H,1H3.
What are the key properties of 2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile?
2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile has a molecular weight of 197.20 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile is sourced from PubChem (CID 178076659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).