(1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-diene-6,16-dione

C15H18N2O2 — CID 102185685

IUPAC(1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-diene-6,16-dione
SMILESO=C1[C@@H]2C[C@@H](Cn3c2cccc3=O)[C@@H]2CCCCN12
InChIInChI=1S/C15H18N2O2/c18-14-6-3-5-13-11-8-10(9-17(13)14)12-4-1-2-7-16(12)15(11)19/h3,5-6,10-12H,1-2,4,7-9H2/t10-,11+,12-/m0/s1
InChIKeyIZLVMGZWFCQGDB-TUAOUCFPSA-N
MW258.32 g/mol
LogP1.35
Rot. Bonds

About (1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-diene-6,16-dione

(1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-diene-6,16-dione (PubChem CID 102185685) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-diene-6,16-dione.

Molecular Properties

Compound Name(1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-diene-6,16-dione
PubChem CID102185685
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-diene-6,16-dione
SMILESO=C1[C@@H]2C[C@@H](Cn3c2cccc3=O)[C@@H]2CCCCN12
InChIInChI=1S/C15H18N2O2/c18-14-6-3-5-13-11-8-10(9-17(13)14)12-4-1-2-7-16(12)15(11)19/h3,5-6,10-12H,1-2,4,7-9H2/t10-,11+,12-/m0/s1
InChIKeyIZLVMGZWFCQGDB-TUAOUCFPSA-N
XLogP1.35
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-diene-6,16-dione?
The IUPAC name of (1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-diene-6,16-dione (CID 102185685) is (1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-diene-6,16-dione.
What is the SMILES notation for (1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-diene-6,16-dione?
The canonical SMILES for (1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-diene-6,16-dione is O=C1[C@@H]2C[C@@H](Cn3c2cccc3=O)[C@@H]2CCCCN12.
What is the InChIKey of (1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-diene-6,16-dione?
The InChIKey is IZLVMGZWFCQGDB-TUAOUCFPSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-6-3-5-13-11-8-10(9-17(13)14)12-4-1-2-7-16(12)15(11)19/h3,5-6,10-12H,1-2,4,7-9H2/t10-,11+,12-/m0/s1.
What are the key properties of (1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-diene-6,16-dione?
(1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-diene-6,16-dione has a molecular weight of 258.32 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-diene-6,16-dione is sourced from PubChem (CID 102185685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).