5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one

C12H10N2O3 — CID 82157858

IUPAC5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
SMILESC#CCN1C(=O)CNc2cc3c(cc21)OCO3
InChIInChI=1S/C12H10N2O3/c1-2-3-14-9-5-11-10(16-7-17-11)4-8(9)13-6-12(14)15/h1,4-5,13H,3,6-7H2
InChIKeyVLAANAYTPBOFET-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.81
Rot. Bonds1

About 5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one

5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one (PubChem CID 82157858) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one.

Molecular Properties

Compound Name5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
PubChem CID82157858
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
SMILESC#CCN1C(=O)CNc2cc3c(cc21)OCO3
InChIInChI=1S/C12H10N2O3/c1-2-3-14-9-5-11-10(16-7-17-11)4-8(9)13-6-12(14)15/h1,4-5,13H,3,6-7H2
InChIKeyVLAANAYTPBOFET-UHFFFAOYSA-N
XLogP0.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.81
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': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(dimethylamino)ethyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157854
5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157853
6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
CID 82157794
N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide
CID 82157822
7-(aminomethyl)-4-prop-2-ynyl-1,4-benzoxazin-3-one
CID 82338823
6-hydrazinyl-4-prop-2-ynyl-1,4-benzoxazin-3-one
CID 22508487
1-but-3-ynyl-3,4-dihydroquinoxalin-2-one
CID 63643833
2-(7-ethyl-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetonitrile
CID 82157921
4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one
CID 134114793
5-[2-(dimethylamino)ethyl]-7-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157933
7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157916
1-(cyanomethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid
CID 117031167

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
The IUPAC name of 5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one (CID 82157858) is 5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one.
What is the SMILES notation for 5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
The canonical SMILES for 5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one is C#CCN1C(=O)CNc2cc3c(cc21)OCO3.
What is the InChIKey of 5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
The InChIKey is VLAANAYTPBOFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-2-3-14-9-5-11-10(16-7-17-11)4-8(9)13-6-12(14)15/h1,4-5,13H,3,6-7H2.
What are the key properties of 5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one has a molecular weight of 230.22 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one is sourced from PubChem (CID 82157858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).