8,10-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide

C13H15N3O3 — CID 175826076

IUPAC8,10-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
SMILESNC(=O)C1=CN2C(=CC1)C(=O)N1CC2CCCC1=O
InChIInChI=1S/C13H15N3O3/c14-12(18)8-4-5-10-13(19)16-7-9(15(10)6-8)2-1-3-11(16)17/h5-6,9H,1-4,7H2,(H2,14,18)
InChIKeyJUHTYFYIXHZPIE-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.13
Rot. Bonds1

About 8,10-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide

8,10-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide (PubChem CID 175826076) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 8,10-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide.

Molecular Properties

Compound Name8,10-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
PubChem CID175826076
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name8,10-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
SMILESNC(=O)C1=CN2C(=CC1)C(=O)N1CC2CCCC1=O
InChIInChI=1S/C13H15N3O3/c14-12(18)8-4-5-10-13(19)16-7-9(15(10)6-8)2-1-3-11(16)17/h5-6,9H,1-4,7H2,(H2,14,18)
InChIKeyJUHTYFYIXHZPIE-UHFFFAOYSA-N
XLogP-0.13
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,10-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide?
The IUPAC name of 8,10-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide (CID 175826076) is 8,10-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide.
What is the SMILES notation for 8,10-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide?
The canonical SMILES for 8,10-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide is NC(=O)C1=CN2C(=CC1)C(=O)N1CC2CCCC1=O.
What is the InChIKey of 8,10-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide?
The InChIKey is JUHTYFYIXHZPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-12(18)8-4-5-10-13(19)16-7-9(15(10)6-8)2-1-3-11(16)17/h5-6,9H,1-4,7H2,(H2,14,18).
What are the key properties of 8,10-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide?
8,10-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide has a molecular weight of 261.28 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide is sourced from PubChem (CID 175826076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).