8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one

C14H10N2O3 — CID 20813911

IUPAC8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one
SMILESO=C1Nc2ccccc2Cc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C14H10N2O3/c17-14-12-8-11(16(18)19)6-5-9(12)7-10-3-1-2-4-13(10)15-14/h1-6,8H,7H2,(H,15,17)
InChIKeyJZUCRGGBDVHJAY-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.75
Rot. Bonds1

About 8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one

8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one (PubChem CID 20813911) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one.

Molecular Properties

Compound Name8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one
PubChem CID20813911
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one
SMILESO=C1Nc2ccccc2Cc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C14H10N2O3/c17-14-12-8-11(16(18)19)6-5-9(12)7-10-3-1-2-4-13(10)15-14/h1-6,8H,7H2,(H,15,17)
InChIKeyJZUCRGGBDVHJAY-UHFFFAOYSA-N
XLogP2.75
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one
CID 102431030
3-nitro-5,12-dihydrobenzo[c][1,6]benzodiazocine-6,11-dione
CID 3128964
2,6-dinitro-9H-fluorene
CID 3582885
3-nitro-9,10-dihydrophenanthrene
CID 614448
(3S)-3-methyl-7-nitro-3,4-dihydro-2H-isoquinolin-1-one
CID 10798306
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CID 174942814
(3E)-5-nitro-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 22394616
2-(5-nitro-2-oxo-1H-indol-3-ylidene)propanedinitrile
CID 3374314
9,10-dihydroacridine
CID 137366999
3-methyl-6-nitro-1,4-dihydroquinazolin-2-one
CID 57415942
2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione
CID 3874335
3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one
CID 135416717

Frequently Asked Questions

What is the IUPAC name of 8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one?
The IUPAC name of 8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one (CID 20813911) is 8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one.
What is the SMILES notation for 8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one?
The canonical SMILES for 8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one is O=C1Nc2ccccc2Cc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one?
The InChIKey is JZUCRGGBDVHJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-14-12-8-11(16(18)19)6-5-9(12)7-10-3-1-2-4-13(10)15-14/h1-6,8H,7H2,(H,15,17).
What are the key properties of 8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one?
8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one has a molecular weight of 254.25 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one is sourced from PubChem (CID 20813911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).