(6S)-3,8-diazatricyclo[7.4.0.03,6]trideca-9,11-diene-2,7-dione

C11H12N2O2 — CID 70557216

IUPAC(6S)-3,8-diazatricyclo[7.4.0.03,6]trideca-9,11-diene-2,7-dione
SMILESO=C1NC2=CC=CCC2C(=O)N2CC[C@@H]12
InChIInChI=1S/C11H12N2O2/c14-10-9-5-6-13(9)11(15)7-3-1-2-4-8(7)12-10/h1-2,4,7,9H,3,5-6H2,(H,12,14)/t7?,9-/m0/s1
InChIKeyGHXFKHKHCZRMOU-NETXQHHPSA-N
MW204.23 g/mol
LogP0.18
Rot. Bonds

About (6S)-3,8-diazatricyclo[7.4.0.03,6]trideca-9,11-diene-2,7-dione

(6S)-3,8-diazatricyclo[7.4.0.03,6]trideca-9,11-diene-2,7-dione (PubChem CID 70557216) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (6S)-3,8-diazatricyclo[7.4.0.03,6]trideca-9,11-diene-2,7-dione.

Molecular Properties

Compound Name(6S)-3,8-diazatricyclo[7.4.0.03,6]trideca-9,11-diene-2,7-dione
PubChem CID70557216
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(6S)-3,8-diazatricyclo[7.4.0.03,6]trideca-9,11-diene-2,7-dione
SMILESO=C1NC2=CC=CCC2C(=O)N2CC[C@@H]12
InChIInChI=1S/C11H12N2O2/c14-10-9-5-6-13(9)11(15)7-3-1-2-4-8(7)12-10/h1-2,4,7,9H,3,5-6H2,(H,12,14)/t7?,9-/m0/s1
InChIKeyGHXFKHKHCZRMOU-NETXQHHPSA-N
XLogP0.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-3,8-diazatricyclo[7.4.0.03,6]trideca-9,11-diene-2,7-dione?
The IUPAC name of (6S)-3,8-diazatricyclo[7.4.0.03,6]trideca-9,11-diene-2,7-dione (CID 70557216) is (6S)-3,8-diazatricyclo[7.4.0.03,6]trideca-9,11-diene-2,7-dione.
What is the SMILES notation for (6S)-3,8-diazatricyclo[7.4.0.03,6]trideca-9,11-diene-2,7-dione?
The canonical SMILES for (6S)-3,8-diazatricyclo[7.4.0.03,6]trideca-9,11-diene-2,7-dione is O=C1NC2=CC=CCC2C(=O)N2CC[C@@H]12.
What is the InChIKey of (6S)-3,8-diazatricyclo[7.4.0.03,6]trideca-9,11-diene-2,7-dione?
The InChIKey is GHXFKHKHCZRMOU-NETXQHHPSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-10-9-5-6-13(9)11(15)7-3-1-2-4-8(7)12-10/h1-2,4,7,9H,3,5-6H2,(H,12,14)/t7?,9-/m0/s1.
What are the key properties of (6S)-3,8-diazatricyclo[7.4.0.03,6]trideca-9,11-diene-2,7-dione?
(6S)-3,8-diazatricyclo[7.4.0.03,6]trideca-9,11-diene-2,7-dione has a molecular weight of 204.23 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3,8-diazatricyclo[7.4.0.03,6]trideca-9,11-diene-2,7-dione is sourced from PubChem (CID 70557216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).