5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide

C17H17N3O3 — CID 139145821

IUPAC5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide
SMILESCN(C)C=O.O=C1Nc2ccccc2C(=O)Nc2ccccc21
InChIInChI=1S/C14H10N2O2.C3H7NO/c17-13-9-5-1-3-7-11(9)15-14(18)10-6-2-4-8-12(10)16-13;1-4(2)3-5/h1-8H,(H,15,18)(H,16,17);3H,1-2H3
InChIKeyRPMHKONIRAGWMH-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.21
Rot. Bonds1

About 5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide

5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide (PubChem CID 139145821) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide.

Molecular Properties

Compound Name5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide
PubChem CID139145821
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide
SMILESCN(C)C=O.O=C1Nc2ccccc2C(=O)Nc2ccccc21
InChIInChI=1S/C14H10N2O2.C3H7NO/c17-13-9-5-1-3-7-11(9)15-14(18)10-6-2-4-8-12(10)16-13;1-4(2)3-5/h1-8H,(H,15,18)(H,16,17);3H,1-2H3
InChIKeyRPMHKONIRAGWMH-UHFFFAOYSA-N
XLogP2.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide?
The IUPAC name of 5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide (CID 139145821) is 5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide.
What is the SMILES notation for 5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide?
The canonical SMILES for 5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide is CN(C)C=O.O=C1Nc2ccccc2C(=O)Nc2ccccc21.
What is the InChIKey of 5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide?
The InChIKey is RPMHKONIRAGWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2.C3H7NO/c17-13-9-5-1-3-7-11(9)15-14(18)10-6-2-4-8-12(10)16-13;1-4(2)3-5/h1-8H,(H,15,18)(H,16,17);3H,1-2H3.
What are the key properties of 5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide?
5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide has a molecular weight of 311.34 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide is sourced from PubChem (CID 139145821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).