N-(8-chloro-2,3-dioxo-4,5-dihydro-1H-indeno[1,2-b]pyrazin-5-yl)acetamide

C13H10ClN3O3 — CID 86754194

IUPACN-(8-chloro-2,3-dioxo-4,5-dihydro-1H-indeno[1,2-b]pyrazin-5-yl)acetamide
SMILESCC(=O)NC1C=CC(Cl)=C2C=c3[nH]c(=O)c(=O)[nH]c3=C21
InChIInChI=1S/C13H10ClN3O3/c1-5(18)15-8-3-2-7(14)6-4-9-11(10(6)8)17-13(20)12(19)16-9/h2-4,8H,1H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyGRLBMRKPMCCMRI-UHFFFAOYSA-N
MW291.69 g/mol
LogP-1.42
Rot. Bonds1

About N-(8-chloro-2,3-dioxo-4,5-dihydro-1H-indeno[1,2-b]pyrazin-5-yl)acetamide

N-(8-chloro-2,3-dioxo-4,5-dihydro-1H-indeno[1,2-b]pyrazin-5-yl)acetamide (PubChem CID 86754194) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is N-(8-chloro-2,3-dioxo-4,5-dihydro-1H-indeno[1,2-b]pyrazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(8-chloro-2,3-dioxo-4,5-dihydro-1H-indeno[1,2-b]pyrazin-5-yl)acetamide
PubChem CID86754194
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC NameN-(8-chloro-2,3-dioxo-4,5-dihydro-1H-indeno[1,2-b]pyrazin-5-yl)acetamide
SMILESCC(=O)NC1C=CC(Cl)=C2C=c3[nH]c(=O)c(=O)[nH]c3=C21
InChIInChI=1S/C13H10ClN3O3/c1-5(18)15-8-3-2-7(14)6-4-9-11(10(6)8)17-13(20)12(19)16-9/h2-4,8H,1H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyGRLBMRKPMCCMRI-UHFFFAOYSA-N
XLogP-1.42
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-2,3-dioxo-4,5-dihydro-1H-indeno[1,2-b]pyrazin-5-yl)acetamide?
The IUPAC name of N-(8-chloro-2,3-dioxo-4,5-dihydro-1H-indeno[1,2-b]pyrazin-5-yl)acetamide (CID 86754194) is N-(8-chloro-2,3-dioxo-4,5-dihydro-1H-indeno[1,2-b]pyrazin-5-yl)acetamide.
What is the SMILES notation for N-(8-chloro-2,3-dioxo-4,5-dihydro-1H-indeno[1,2-b]pyrazin-5-yl)acetamide?
The canonical SMILES for N-(8-chloro-2,3-dioxo-4,5-dihydro-1H-indeno[1,2-b]pyrazin-5-yl)acetamide is CC(=O)NC1C=CC(Cl)=C2C=c3[nH]c(=O)c(=O)[nH]c3=C21.
What is the InChIKey of N-(8-chloro-2,3-dioxo-4,5-dihydro-1H-indeno[1,2-b]pyrazin-5-yl)acetamide?
The InChIKey is GRLBMRKPMCCMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-5(18)15-8-3-2-7(14)6-4-9-11(10(6)8)17-13(20)12(19)16-9/h2-4,8H,1H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N-(8-chloro-2,3-dioxo-4,5-dihydro-1H-indeno[1,2-b]pyrazin-5-yl)acetamide?
N-(8-chloro-2,3-dioxo-4,5-dihydro-1H-indeno[1,2-b]pyrazin-5-yl)acetamide has a molecular weight of 291.69 g/mol, XLogP of -1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-2,3-dioxo-4,5-dihydro-1H-indeno[1,2-b]pyrazin-5-yl)acetamide is sourced from PubChem (CID 86754194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).