ethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate

C12H20N2O3 — CID 2966520

IUPACethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate
SMILESCCOC(=O)CC1NC2CCCCC2NC1=O
InChIInChI=1S/C12H20N2O3/c1-2-17-11(15)7-10-12(16)14-9-6-4-3-5-8(9)13-10/h8-10,13H,2-7H2,1H3,(H,14,16)
InChIKeyBEOQFUFLSAJYLX-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.34
Rot. Bonds3

About ethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate

ethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate (PubChem CID 2966520) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate
PubChem CID2966520
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nameethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate
SMILESCCOC(=O)CC1NC2CCCCC2NC1=O
InChIInChI=1S/C12H20N2O3/c1-2-17-11(15)7-10-12(16)14-9-6-4-3-5-8(9)13-10/h8-10,13H,2-7H2,1H3,(H,14,16)
InChIKeyBEOQFUFLSAJYLX-UHFFFAOYSA-N
XLogP0.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate with MolForge

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Related Compounds

Ethyl 2-(3-oxopiperazin-2-yl)acetate
CID 544550
Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate
CID 2772131
Methyl (3-oxodecahydroquinoxalin-2-yl)acetate
CID 2950726
2-Quinoxalineacetic acid, 1-[(ethylamino)carbonyl]decahydro-3-oxo-, ethyl ester
CID 2969387
Ethyl [1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
CID 4889004
Ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate
CID 2996871
Cyclohexyl 2-(3-oxopiperazin-2-yl)acetate
CID 2996909
Ethyl 2-(1-cyclohexyl-3-oxopiperazin-2-yl)acetate
CID 2997394
ethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate
CID 1382907
Ethyl (5-methyl-3-oxopiperazin-2-yl)acetate
CID 74889538
2,5-Diketopiperazin-3,6-diessigsaurediathylester
CID 129642751
Methyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]acetate
CID 4893694

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate?
The IUPAC name of ethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate (CID 2966520) is ethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate is CCOC(=O)CC1NC2CCCCC2NC1=O.
What is the InChIKey of ethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate?
The InChIKey is BEOQFUFLSAJYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-17-11(15)7-10-12(16)14-9-6-4-3-5-8(9)13-10/h8-10,13H,2-7H2,1H3,(H,14,16).
What are the key properties of ethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate?
ethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate has a molecular weight of 240.30 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate is sourced from PubChem (CID 2966520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).