6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one

C12H11NO2 — CID 170308294

IUPAC6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one
SMILESO=C1c2ccccc2OCC2CC=CN12
InChIInChI=1S/C12H11NO2/c14-12-10-5-1-2-6-11(10)15-8-9-4-3-7-13(9)12/h1-3,5-7,9H,4,8H2
InChIKeyYNZOYMJLBATCNO-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.81
Rot. Bonds

About 6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one

6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one (PubChem CID 170308294) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one.

Molecular Properties

Compound Name6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one
PubChem CID170308294
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one
SMILESO=C1c2ccccc2OCC2CC=CN12
InChIInChI=1S/C12H11NO2/c14-12-10-5-1-2-6-11(10)15-8-9-4-3-7-13(9)12/h1-3,5-7,9H,4,8H2
InChIKeyYNZOYMJLBATCNO-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one?
The IUPAC name of 6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one (CID 170308294) is 6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one.
What is the SMILES notation for 6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one?
The canonical SMILES for 6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one is O=C1c2ccccc2OCC2CC=CN12.
What is the InChIKey of 6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one?
The InChIKey is YNZOYMJLBATCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12-10-5-1-2-6-11(10)15-8-9-4-3-7-13(9)12/h1-3,5-7,9H,4,8H2.
What are the key properties of 6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one?
6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one has a molecular weight of 201.23 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one is sourced from PubChem (CID 170308294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).