2H-pyrrolo[3,2-e][1,2]benzoxazole

C9H6N2O — CID 176741848

IUPAC2H-pyrrolo[3,2-e][1,2]benzoxazole
SMILESc1cc2c(ccc3o[nH]cc32)n1
InChIInChI=1S/C9H6N2O/c1-2-9-7(5-11-12-9)6-3-4-10-8(1)6/h1-5,11H
InChIKeyDXCXGBOPUVYKHW-UHFFFAOYSA-N
MW158.16 g/mol
LogP2.31
Rot. Bonds

About 2H-pyrrolo[3,2-e][1,2]benzoxazole

2H-pyrrolo[3,2-e][1,2]benzoxazole (PubChem CID 176741848) has the molecular formula C9H6N2O and a molecular weight of 158.16 g/mol. Its IUPAC name is 2H-pyrrolo[3,2-e][1,2]benzoxazole.

Molecular Properties

Compound Name2H-pyrrolo[3,2-e][1,2]benzoxazole
PubChem CID176741848
Molecular FormulaC9H6N2O
Molecular Weight158.16 g/mol
Exact Mass158.05
IUPAC Name2H-pyrrolo[3,2-e][1,2]benzoxazole
SMILESc1cc2c(ccc3o[nH]cc32)n1
InChIInChI=1S/C9H6N2O/c1-2-9-7(5-11-12-9)6-3-4-10-8(1)6/h1-5,11H
InChIKeyDXCXGBOPUVYKHW-UHFFFAOYSA-N
XLogP2.31
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrrolo[3,2-e][1,2]benzoxazole?
The IUPAC name of 2H-pyrrolo[3,2-e][1,2]benzoxazole (CID 176741848) is 2H-pyrrolo[3,2-e][1,2]benzoxazole.
What is the SMILES notation for 2H-pyrrolo[3,2-e][1,2]benzoxazole?
The canonical SMILES for 2H-pyrrolo[3,2-e][1,2]benzoxazole is c1cc2c(ccc3o[nH]cc32)n1.
What is the InChIKey of 2H-pyrrolo[3,2-e][1,2]benzoxazole?
The InChIKey is DXCXGBOPUVYKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O/c1-2-9-7(5-11-12-9)6-3-4-10-8(1)6/h1-5,11H.
What are the key properties of 2H-pyrrolo[3,2-e][1,2]benzoxazole?
2H-pyrrolo[3,2-e][1,2]benzoxazole has a molecular weight of 158.16 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrolo[3,2-e][1,2]benzoxazole is sourced from PubChem (CID 176741848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).