6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one

C13H14N2O3 — CID 82157794

IUPAC6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
SMILESC=CCN1C(=O)CNc2cc3c(cc21)OCCO3
InChIInChI=1S/C13H14N2O3/c1-2-3-15-10-7-12-11(17-4-5-18-12)6-9(10)14-8-13(15)16/h2,6-7,14H,1,3-5,8H2
InChIKeyQOUVNYVKEDPAGN-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.40
Rot. Bonds2

About 6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one

6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one (PubChem CID 82157794) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one.

Molecular Properties

Compound Name6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
PubChem CID82157794
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
SMILESC=CCN1C(=O)CNc2cc3c(cc21)OCCO3
InChIInChI=1S/C13H14N2O3/c1-2-3-15-10-7-12-11(17-4-5-18-12)6-9(10)14-8-13(15)16/h2,6-7,14H,1,3-5,8H2
InChIKeyQOUVNYVKEDPAGN-UHFFFAOYSA-N
XLogP1.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one with MolForge

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Launch Full Analysis

Related Compounds

7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
CID 117006288
5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157858
5-[2-(dimethylamino)ethyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157854
5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 143582572
7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157863
5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157853
6-(3-aminopropyl)-4-prop-2-enyl-1,4-benzoxazin-3-one
CID 82339941
N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide
CID 82157822
16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione
CID 70434519
8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
CID 82157756
methyl 7-amino-3-oxo-4-prop-2-enyl-1,4-benzoxazine-6-carboxylate
CID 169171351
6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one
CID 20983955

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one?
The IUPAC name of 6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one (CID 82157794) is 6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one.
What is the SMILES notation for 6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one?
The canonical SMILES for 6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one is C=CCN1C(=O)CNc2cc3c(cc21)OCCO3.
What is the InChIKey of 6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one?
The InChIKey is QOUVNYVKEDPAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-3-15-10-7-12-11(17-4-5-18-12)6-9(10)14-8-13(15)16/h2,6-7,14H,1,3-5,8H2.
What are the key properties of 6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one?
6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one has a molecular weight of 246.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one is sourced from PubChem (CID 82157794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).