2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

C16H11IN2O — CID 5331109

IUPAC2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
SMILESO=C1Cc2c([nH]c3ccccc23)-c2cc(I)ccc2N1
InChIInChI=1S/C16H11IN2O/c17-9-5-6-14-12(7-9)16-11(8-15(20)18-14)10-3-1-2-4-13(10)19-16/h1-7,19H,8H2,(H,18,20)
InChIKeyISVUJGXTZKJOGX-UHFFFAOYSA-N
MW374.18 g/mol
LogP3.93
Rot. Bonds

About 2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one (PubChem CID 5331109) has the molecular formula C16H11IN2O and a molecular weight of 374.18 g/mol. Its IUPAC name is 2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
PubChem CID5331109
Molecular FormulaC16H11IN2O
Molecular Weight374.18 g/mol
Exact Mass373.99
IUPAC Name2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
SMILESO=C1Cc2c([nH]c3ccccc23)-c2cc(I)ccc2N1
InChIInChI=1S/C16H11IN2O/c17-9-5-6-14-12(7-9)16-11(8-15(20)18-14)10-3-1-2-4-13(10)19-16/h1-7,19H,8H2,(H,18,20)
InChIKeyISVUJGXTZKJOGX-UHFFFAOYSA-N
XLogP3.93
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The IUPAC name of 2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one (CID 5331109) is 2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one.
What is the SMILES notation for 2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The canonical SMILES for 2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one is O=C1Cc2c([nH]c3ccccc23)-c2cc(I)ccc2N1.
What is the InChIKey of 2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The InChIKey is ISVUJGXTZKJOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11IN2O/c17-9-5-6-14-12(7-9)16-11(8-15(20)18-14)10-3-1-2-4-13(10)19-16/h1-7,19H,8H2,(H,18,20).
What are the key properties of 2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one has a molecular weight of 374.18 g/mol, XLogP of 3.93, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one is sourced from PubChem (CID 5331109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).