3-(4-oxocinnolin-1-yl)propanamide

C11H11N3O2 — CID 47123782

IUPAC3-(4-oxocinnolin-1-yl)propanamide
SMILESNC(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C11H11N3O2/c12-11(16)5-6-14-9-4-2-1-3-8(9)10(15)7-13-14/h1-4,7H,5-6H2,(H2,12,16)
InChIKeyMDKLBPWPOUQMHJ-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.27
Rot. Bonds3

About 3-(4-oxocinnolin-1-yl)propanamide

3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 47123782) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-oxocinnolin-1-yl)propanamide
PubChem CID47123782
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-(4-oxocinnolin-1-yl)propanamide
SMILESNC(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C11H11N3O2/c12-11(16)5-6-14-9-4-2-1-3-8(9)10(15)7-13-14/h1-4,7H,5-6H2,(H2,12,16)
InChIKeyMDKLBPWPOUQMHJ-UHFFFAOYSA-N
XLogP0.27
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of 3-(4-oxocinnolin-1-yl)propanamide (CID 47123782) is 3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for 3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for 3-(4-oxocinnolin-1-yl)propanamide is NC(=O)CCn1ncc(=O)c2ccccc21.
What is the InChIKey of 3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is MDKLBPWPOUQMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-11(16)5-6-14-9-4-2-1-3-8(9)10(15)7-13-14/h1-4,7H,5-6H2,(H2,12,16).
What are the key properties of 3-(4-oxocinnolin-1-yl)propanamide?
3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 217.23 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 47123782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).