2-(2,4-dimethyl-3,5-dioxo-2,4,7,8-tetrazabicyclo[4.2.0]oct-1(6)-en-7-yl)acetamide

C8H11N5O3 — CID 129289741

IUPAC2-(2,4-dimethyl-3,5-dioxo-2,4,7,8-tetrazabicyclo[4.2.0]oct-1(6)-en-7-yl)acetamide
SMILESCn1c(=O)c2c([nH]n2CC(N)=O)n(C)c1=O
InChIInChI=1S/C8H11N5O3/c1-11-6-5(7(15)12(2)8(11)16)13(10-6)3-4(9)14/h10H,3H2,1-2H3,(H2,9,14)
InChIKeyFOHLYAAIDKQIEG-UHFFFAOYSA-N
MW225.21 g/mol
LogP-2.15
Rot. Bonds2

About 2-(2,4-dimethyl-3,5-dioxo-2,4,7,8-tetrazabicyclo[4.2.0]oct-1(6)-en-7-yl)acetamide

2-(2,4-dimethyl-3,5-dioxo-2,4,7,8-tetrazabicyclo[4.2.0]oct-1(6)-en-7-yl)acetamide (PubChem CID 129289741) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-(2,4-dimethyl-3,5-dioxo-2,4,7,8-tetrazabicyclo[4.2.0]oct-1(6)-en-7-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-3,5-dioxo-2,4,7,8-tetrazabicyclo[4.2.0]oct-1(6)-en-7-yl)acetamide
PubChem CID129289741
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC Name2-(2,4-dimethyl-3,5-dioxo-2,4,7,8-tetrazabicyclo[4.2.0]oct-1(6)-en-7-yl)acetamide
SMILESCn1c(=O)c2c([nH]n2CC(N)=O)n(C)c1=O
InChIInChI=1S/C8H11N5O3/c1-11-6-5(7(15)12(2)8(11)16)13(10-6)3-4(9)14/h10H,3H2,1-2H3,(H2,9,14)
InChIKeyFOHLYAAIDKQIEG-UHFFFAOYSA-N
XLogP-2.15
TPSA107.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-2.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-3,5-dioxo-2,4,7,8-tetrazabicyclo[4.2.0]oct-1(6)-en-7-yl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-3,5-dioxo-2,4,7,8-tetrazabicyclo[4.2.0]oct-1(6)-en-7-yl)acetamide (CID 129289741) is 2-(2,4-dimethyl-3,5-dioxo-2,4,7,8-tetrazabicyclo[4.2.0]oct-1(6)-en-7-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-3,5-dioxo-2,4,7,8-tetrazabicyclo[4.2.0]oct-1(6)-en-7-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-3,5-dioxo-2,4,7,8-tetrazabicyclo[4.2.0]oct-1(6)-en-7-yl)acetamide is Cn1c(=O)c2c([nH]n2CC(N)=O)n(C)c1=O.
What is the InChIKey of 2-(2,4-dimethyl-3,5-dioxo-2,4,7,8-tetrazabicyclo[4.2.0]oct-1(6)-en-7-yl)acetamide?
The InChIKey is FOHLYAAIDKQIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c1-11-6-5(7(15)12(2)8(11)16)13(10-6)3-4(9)14/h10H,3H2,1-2H3,(H2,9,14).
What are the key properties of 2-(2,4-dimethyl-3,5-dioxo-2,4,7,8-tetrazabicyclo[4.2.0]oct-1(6)-en-7-yl)acetamide?
2-(2,4-dimethyl-3,5-dioxo-2,4,7,8-tetrazabicyclo[4.2.0]oct-1(6)-en-7-yl)acetamide has a molecular weight of 225.21 g/mol, XLogP of -2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-3,5-dioxo-2,4,7,8-tetrazabicyclo[4.2.0]oct-1(6)-en-7-yl)acetamide is sourced from PubChem (CID 129289741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).