6H-pyrrolo[2,1-c][1,4]oxazine

C7H7NO — CID 21352921

IUPAC6H-pyrrolo[2,1-c][1,4]oxazine
SMILESC1=CC2=COC=CN2C1
InChIInChI=1S/C7H7NO/c1-2-7-6-9-5-4-8(7)3-1/h1-2,4-6H,3H2
InChIKeyMRLMKGWEULVTOY-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.20
Rot. Bonds

About 6H-pyrrolo[2,1-c][1,4]oxazine

6H-pyrrolo[2,1-c][1,4]oxazine (PubChem CID 21352921) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 6H-pyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name6H-pyrrolo[2,1-c][1,4]oxazine
PubChem CID21352921
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name6H-pyrrolo[2,1-c][1,4]oxazine
SMILESC1=CC2=COC=CN2C1
InChIInChI=1S/C7H7NO/c1-2-7-6-9-5-4-8(7)3-1/h1-2,4-6H,3H2
InChIKeyMRLMKGWEULVTOY-UHFFFAOYSA-N
XLogP1.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6H-pyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of 6H-pyrrolo[2,1-c][1,4]oxazine (CID 21352921) is 6H-pyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for 6H-pyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for 6H-pyrrolo[2,1-c][1,4]oxazine is C1=CC2=COC=CN2C1.
What is the InChIKey of 6H-pyrrolo[2,1-c][1,4]oxazine?
The InChIKey is MRLMKGWEULVTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-2-7-6-9-5-4-8(7)3-1/h1-2,4-6H,3H2.
What are the key properties of 6H-pyrrolo[2,1-c][1,4]oxazine?
6H-pyrrolo[2,1-c][1,4]oxazine has a molecular weight of 121.14 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 21352921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).