1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one

C12H14N2O — CID 82156911

IUPAC1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one
SMILESC=C(C)CN1C(=O)CNc2ccccc21
InChIInChI=1S/C12H14N2O/c1-9(2)8-14-11-6-4-3-5-10(11)13-7-12(14)15/h3-6,13H,1,7-8H2,2H3
InChIKeyWXUGEQDUBGDXRA-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.02
Rot. Bonds2

About 1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one

1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one (PubChem CID 82156911) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one
PubChem CID82156911
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one
SMILESC=C(C)CN1C(=O)CNc2ccccc21
InChIInChI=1S/C12H14N2O/c1-9(2)8-14-11-6-4-3-5-10(11)13-7-12(14)15/h3-6,13H,1,7-8H2,2H3
InChIKeyWXUGEQDUBGDXRA-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 154069808
1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one
CID 82157142
2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione
CID 94763938
1-but-3-ynyl-3,4-dihydroquinoxalin-2-one
CID 63643833
N-(2-chlorophenyl)-2-(2-oxo-3,4-dihydroquinoxalin-1-yl)acetamide
CID 94763882
1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157186
4-(2-oxo-3,4-dihydroquinoxalin-1-yl)butanenitrile
CID 62876473
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one
CID 104566166
2,2-dimethyl-6-(2-oxo-3,4-dihydroquinoxalin-1-yl)hexanenitrile
CID 106713828
1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one
CID 82156906
1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one
CID 62874448
1-(cyclohexylmethyl)-3,4-dihydroquinoxalin-2-one
CID 62874787

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one (CID 82156911) is 1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one is C=C(C)CN1C(=O)CNc2ccccc21.
What is the InChIKey of 1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one?
The InChIKey is WXUGEQDUBGDXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(2)8-14-11-6-4-3-5-10(11)13-7-12(14)15/h3-6,13H,1,7-8H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one?
1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one has a molecular weight of 202.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82156911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).