N-(4-oxo-3H-phthalazin-1-yl)acetamide

C10H9N3O2 — CID 71717143

IUPACN-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCC(=O)Nc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C10H9N3O2/c1-6(14)11-9-7-4-2-3-5-8(7)10(15)13-12-9/h2-5H,1H3,(H,13,15)(H,11,12,14)
InChIKeySBENBKBGEBCBOQ-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.88
Rot. Bonds1

About N-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 71717143) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is N-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID71717143
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC NameN-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCC(=O)Nc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C10H9N3O2/c1-6(14)11-9-7-4-2-3-5-8(7)10(15)13-12-9/h2-5H,1H3,(H,13,15)(H,11,12,14)
InChIKeySBENBKBGEBCBOQ-UHFFFAOYSA-N
XLogP0.88
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 71717143) is N-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(4-oxo-3H-phthalazin-1-yl)acetamide is CC(=O)Nc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is SBENBKBGEBCBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-6(14)11-9-7-4-2-3-5-8(7)10(15)13-12-9/h2-5H,1H3,(H,13,15)(H,11,12,14).
What are the key properties of N-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 203.20 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 71717143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).