2H-pyrrolo[2,1-b][1,3]oxazine

C7H7NO — CID 22335627

IUPAC2H-pyrrolo[2,1-b][1,3]oxazine
SMILESC1=Cn2cccc2OC1
InChIInChI=1S/C7H7NO/c1-3-7-8(4-1)5-2-6-9-7/h1-5H,6H2
InChIKeyDOTYXUNKIZCKPH-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.35
Rot. Bonds

About 2H-pyrrolo[2,1-b][1,3]oxazine

2H-pyrrolo[2,1-b][1,3]oxazine (PubChem CID 22335627) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 2H-pyrrolo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name2H-pyrrolo[2,1-b][1,3]oxazine
PubChem CID22335627
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name2H-pyrrolo[2,1-b][1,3]oxazine
SMILESC1=Cn2cccc2OC1
InChIInChI=1S/C7H7NO/c1-3-7-8(4-1)5-2-6-9-7/h1-5H,6H2
InChIKeyDOTYXUNKIZCKPH-UHFFFAOYSA-N
XLogP1.35
TPSA14.16 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 ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrrolo[2,1-b][1,3]oxazine?
The IUPAC name of 2H-pyrrolo[2,1-b][1,3]oxazine (CID 22335627) is 2H-pyrrolo[2,1-b][1,3]oxazine.
What is the SMILES notation for 2H-pyrrolo[2,1-b][1,3]oxazine?
The canonical SMILES for 2H-pyrrolo[2,1-b][1,3]oxazine is C1=Cn2cccc2OC1.
What is the InChIKey of 2H-pyrrolo[2,1-b][1,3]oxazine?
The InChIKey is DOTYXUNKIZCKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-3-7-8(4-1)5-2-6-9-7/h1-5H,6H2.
What are the key properties of 2H-pyrrolo[2,1-b][1,3]oxazine?
2H-pyrrolo[2,1-b][1,3]oxazine has a molecular weight of 121.14 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrolo[2,1-b][1,3]oxazine is sourced from PubChem (CID 22335627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).