N-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide

C11H10N2O3 — CID 19841377

IUPACN-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide
SMILESCC(=O)NC1C(=O)NC(=O)c2ccccc21
InChIInChI=1S/C11H10N2O3/c1-6(14)12-9-7-4-2-3-5-8(7)10(15)13-11(9)16/h2-5,9H,1H3,(H,12,14)(H,13,15,16)
InChIKeyIQHNXJWKDMQRBL-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.13
Rot. Bonds1

About N-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide

N-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide (PubChem CID 19841377) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is N-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide
PubChem CID19841377
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC NameN-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide
SMILESCC(=O)NC1C(=O)NC(=O)c2ccccc21
InChIInChI=1S/C11H10N2O3/c1-6(14)12-9-7-4-2-3-5-8(7)10(15)13-11(9)16/h2-5,9H,1H3,(H,12,14)(H,13,15,16)
InChIKeyIQHNXJWKDMQRBL-UHFFFAOYSA-N
XLogP0.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide?
The IUPAC name of N-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide (CID 19841377) is N-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide.
What is the SMILES notation for N-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide?
The canonical SMILES for N-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide is CC(=O)NC1C(=O)NC(=O)c2ccccc21.
What is the InChIKey of N-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide?
The InChIKey is IQHNXJWKDMQRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6(14)12-9-7-4-2-3-5-8(7)10(15)13-11(9)16/h2-5,9H,1H3,(H,12,14)(H,13,15,16).
What are the key properties of N-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide?
N-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide has a molecular weight of 218.21 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide is sourced from PubChem (CID 19841377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).