2-ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

C12H12N2O2 — CID 145497314

IUPAC2-ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
SMILESCCC1Cn2c(=O)ccc3ccc(=O)n1c32
InChIInChI=1S/C12H12N2O2/c1-2-9-7-13-10(15)5-3-8-4-6-11(16)14(9)12(8)13/h3-6,9H,2,7H2,1H3
InChIKeyHNTXYGKSBYIKQN-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.13
Rot. Bonds1

About 2-ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

2-ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione (PubChem CID 145497314) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione.

Molecular Properties

Compound Name2-ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
PubChem CID145497314
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
SMILESCCC1Cn2c(=O)ccc3ccc(=O)n1c32
InChIInChI=1S/C12H12N2O2/c1-2-9-7-13-10(15)5-3-8-4-6-11(16)14(9)12(8)13/h3-6,9H,2,7H2,1H3
InChIKeyHNTXYGKSBYIKQN-UHFFFAOYSA-N
XLogP1.13
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione?
The IUPAC name of 2-ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione (CID 145497314) is 2-ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione.
What is the SMILES notation for 2-ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione?
The canonical SMILES for 2-ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione is CCC1Cn2c(=O)ccc3ccc(=O)n1c32.
What is the InChIKey of 2-ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione?
The InChIKey is HNTXYGKSBYIKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-9-7-13-10(15)5-3-8-4-6-11(16)14(9)12(8)13/h3-6,9H,2,7H2,1H3.
What are the key properties of 2-ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione?
2-ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione has a molecular weight of 216.24 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione is sourced from PubChem (CID 145497314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).