7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene-6,8-dione

C15H20N2O2 — CID 91748409

IUPAC7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene-6,8-dione
SMILESO=C1CCC=C2C3CC(C(=O)N12)C1CCCCN1C3
InChIInChI=1S/C15H20N2O2/c18-14-6-3-5-12-10-8-11(15(19)17(12)14)13-4-1-2-7-16(13)9-10/h5,10-11,13H,1-4,6-9H2
InChIKeyHDEXKFWRBAIRHI-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.52
Rot. Bonds

About 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene-6,8-dione

7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene-6,8-dione (PubChem CID 91748409) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene-6,8-dione.

Molecular Properties

Compound Name7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene-6,8-dione
PubChem CID91748409
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene-6,8-dione
SMILESO=C1CCC=C2C3CC(C(=O)N12)C1CCCCN1C3
InChIInChI=1S/C15H20N2O2/c18-14-6-3-5-12-10-8-11(15(19)17(12)14)13-4-1-2-7-16(13)9-10/h5,10-11,13H,1-4,6-9H2
InChIKeyHDEXKFWRBAIRHI-UHFFFAOYSA-N
XLogP1.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene-6,8-dione?
The IUPAC name of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene-6,8-dione (CID 91748409) is 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene-6,8-dione.
What is the SMILES notation for 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene-6,8-dione?
The canonical SMILES for 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene-6,8-dione is O=C1CCC=C2C3CC(C(=O)N12)C1CCCCN1C3.
What is the InChIKey of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene-6,8-dione?
The InChIKey is HDEXKFWRBAIRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14-6-3-5-12-10-8-11(15(19)17(12)14)13-4-1-2-7-16(13)9-10/h5,10-11,13H,1-4,6-9H2.
What are the key properties of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene-6,8-dione?
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene-6,8-dione has a molecular weight of 260.34 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene-6,8-dione is sourced from PubChem (CID 91748409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).