3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one

C11H12N2O2 — CID 11171721

IUPAC3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC(=O)CC1Nc2ccccc2NC1=O
InChIInChI=1S/C11H12N2O2/c1-7(14)6-10-11(15)13-9-5-3-2-4-8(9)12-10/h2-5,10,12H,6H2,1H3,(H,13,15)
InChIKeyUXHRGHMSVAOYBX-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.40
Rot. Bonds2

About 3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one

3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 11171721) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID11171721
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC(=O)CC1Nc2ccccc2NC1=O
InChIInChI=1S/C11H12N2O2/c1-7(14)6-10-11(15)13-9-5-3-2-4-8(9)12-10/h2-5,10,12H,6H2,1H3,(H,13,15)
InChIKeyUXHRGHMSVAOYBX-UHFFFAOYSA-N
XLogP1.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one (CID 11171721) is 3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one is CC(=O)CC1Nc2ccccc2NC1=O.
What is the InChIKey of 3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is UXHRGHMSVAOYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(14)6-10-11(15)13-9-5-3-2-4-8(9)12-10/h2-5,10,12H,6H2,1H3,(H,13,15).
What are the key properties of 3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one?
3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 11171721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).