3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane

C12H18N2O — CID 90978779

IUPAC3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane
SMILESCC.CC1(C)Nc2ccccc2NC1=O
InChIInChI=1S/C10H12N2O.C2H6/c1-10(2)9(13)11-7-5-3-4-6-8(7)12-10;1-2/h3-6,12H,1-2H3,(H,11,13);1-2H3
InChIKeyXSMFCQNMVXPELS-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.86
Rot. Bonds

About 3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane

3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane (PubChem CID 90978779) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane.

Molecular Properties

Compound Name3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane
PubChem CID90978779
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane
SMILESCC.CC1(C)Nc2ccccc2NC1=O
InChIInChI=1S/C10H12N2O.C2H6/c1-10(2)9(13)11-7-5-3-4-6-8(7)12-10;1-2/h3-6,12H,1-2H3,(H,11,13);1-2H3
InChIKeyXSMFCQNMVXPELS-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
CID 84620322
3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride
CID 84713969
3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one
CID 82008246
3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid
CID 112577462
8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 146609415
spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 12886753
3,3-dimethyl-4H-1,4-benzothiazin-2-one
CID 115094877
4,4,7,10,10-pentamethyl-6-oxo-2,9,12-triaza-4,6-diazoniabicyclo[11.4.0]heptadeca-1(17),13,15-triene-3,8,11-trione
CID 89306241
2,4,11,13,20,22,29,31-octazapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene-3,12,21,30-tetrone
CID 10165611
2-(3,3-dimethyl-2-oxo-1,4-dihydroquinoxalin-6-yl)propanenitrile
CID 84792828
2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 13293492
spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one
CID 84697857

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane?
The IUPAC name of 3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane (CID 90978779) is 3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane.
What is the SMILES notation for 3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane?
The canonical SMILES for 3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane is CC.CC1(C)Nc2ccccc2NC1=O.
What is the InChIKey of 3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane?
The InChIKey is XSMFCQNMVXPELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C2H6/c1-10(2)9(13)11-7-5-3-4-6-8(7)12-10;1-2/h3-6,12H,1-2H3,(H,11,13);1-2H3.
What are the key properties of 3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane?
3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane has a molecular weight of 206.29 g/mol, XLogP of 2.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane is sourced from PubChem (CID 90978779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).