1H-pyrrolo[2,3-g][1]benzazepin-2-one

C12H8N2O — CID 137178482

IUPAC1H-pyrrolo[2,3-g][1]benzazepin-2-one
SMILESO=c1cc2ccc3nccccc3c2[nH]1
InChIInChI=1S/C12H8N2O/c15-11-7-8-4-5-10-9(12(8)14-11)3-1-2-6-13-10/h1-7H,(H,14,15)
InChIKeyORSQLIPWNOIHJK-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.08
Rot. Bonds

About 1H-pyrrolo[2,3-g][1]benzazepin-2-one

1H-pyrrolo[2,3-g][1]benzazepin-2-one (PubChem CID 137178482) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-g][1]benzazepin-2-one.

Molecular Properties

Compound Name1H-pyrrolo[2,3-g][1]benzazepin-2-one
PubChem CID137178482
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name1H-pyrrolo[2,3-g][1]benzazepin-2-one
SMILESO=c1cc2ccc3nccccc3c2[nH]1
InChIInChI=1S/C12H8N2O/c15-11-7-8-4-5-10-9(12(8)14-11)3-1-2-6-13-10/h1-7H,(H,14,15)
InChIKeyORSQLIPWNOIHJK-UHFFFAOYSA-N
XLogP2.08
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-g][1]benzazepin-2-one?
The IUPAC name of 1H-pyrrolo[2,3-g][1]benzazepin-2-one (CID 137178482) is 1H-pyrrolo[2,3-g][1]benzazepin-2-one.
What is the SMILES notation for 1H-pyrrolo[2,3-g][1]benzazepin-2-one?
The canonical SMILES for 1H-pyrrolo[2,3-g][1]benzazepin-2-one is O=c1cc2ccc3nccccc3c2[nH]1.
What is the InChIKey of 1H-pyrrolo[2,3-g][1]benzazepin-2-one?
The InChIKey is ORSQLIPWNOIHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-11-7-8-4-5-10-9(12(8)14-11)3-1-2-6-13-10/h1-7H,(H,14,15).
What are the key properties of 1H-pyrrolo[2,3-g][1]benzazepin-2-one?
1H-pyrrolo[2,3-g][1]benzazepin-2-one has a molecular weight of 196.21 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-g][1]benzazepin-2-one is sourced from PubChem (CID 137178482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).