1-prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one

C11H14N2O — CID 70392242

IUPAC1-prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one
SMILESC=CCN1C(=O)CNC2CC=CC=C21
InChIInChI=1S/C11H14N2O/c1-2-7-13-10-6-4-3-5-9(10)12-8-11(13)14/h2-4,6,9,12H,1,5,7-8H2
InChIKeyDKEWWWOKGXUQIB-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.82
Rot. Bonds2

About 1-prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one

1-prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one (PubChem CID 70392242) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one.

Molecular Properties

Compound Name1-prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one
PubChem CID70392242
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one
SMILESC=CCN1C(=O)CNC2CC=CC=C21
InChIInChI=1S/C11H14N2O/c1-2-7-13-10-6-4-3-5-9(10)12-8-11(13)14/h2-4,6,9,12H,1,5,7-8H2
InChIKeyDKEWWWOKGXUQIB-UHFFFAOYSA-N
XLogP0.82
TPSA32.34 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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one?
The IUPAC name of 1-prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one (CID 70392242) is 1-prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one.
What is the SMILES notation for 1-prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one?
The canonical SMILES for 1-prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one is C=CCN1C(=O)CNC2CC=CC=C21.
What is the InChIKey of 1-prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one?
The InChIKey is DKEWWWOKGXUQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-7-13-10-6-4-3-5-9(10)12-8-11(13)14/h2-4,6,9,12H,1,5,7-8H2.
What are the key properties of 1-prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one?
1-prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one has a molecular weight of 190.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one is sourced from PubChem (CID 70392242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).