3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one

C11H14N2O — CID 67748395

IUPAC3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
SMILESC=CCc1nc2c([nH]c1=O)CCCC2
InChIInChI=1S/C11H14N2O/c1-2-5-10-11(14)13-9-7-4-3-6-8(9)12-10/h2H,1,3-7H2,(H,13,14)
InChIKeyFOVHPTDTABCCPD-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.38
Rot. Bonds2

About 3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one

3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one (PubChem CID 67748395) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
PubChem CID67748395
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
SMILESC=CCc1nc2c([nH]c1=O)CCCC2
InChIInChI=1S/C11H14N2O/c1-2-5-10-11(14)13-9-7-4-3-6-8(9)12-10/h2H,1,3-7H2,(H,13,14)
InChIKeyFOVHPTDTABCCPD-UHFFFAOYSA-N
XLogP1.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?
The IUPAC name of 3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one (CID 67748395) is 3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?
The canonical SMILES for 3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one is C=CCc1nc2c([nH]c1=O)CCCC2.
What is the InChIKey of 3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?
The InChIKey is FOVHPTDTABCCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-5-10-11(14)13-9-7-4-3-6-8(9)12-10/h2H,1,3-7H2,(H,13,14).
What are the key properties of 3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?
3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one is sourced from PubChem (CID 67748395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).