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

C11H16N4O — CID 130303316

IUPAC3-hydrazinyl-5-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
SMILESC=CCC1CCCc2[nH]c(=O)c(NN)nc21
InChIInChI=1S/C11H16N4O/c1-2-4-7-5-3-6-8-9(7)14-10(15-12)11(16)13-8/h2,7H,1,3-6,12H2,(H,13,16)(H,14,15)
InChIKeyPJAULCOLKZLTNU-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.05
Rot. Bonds3

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

3-hydrazinyl-5-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one (PubChem CID 130303316) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-hydrazinyl-5-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-hydrazinyl-5-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
PubChem CID130303316
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-hydrazinyl-5-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
SMILESC=CCC1CCCc2[nH]c(=O)c(NN)nc21
InChIInChI=1S/C11H16N4O/c1-2-4-7-5-3-6-8-9(7)14-10(15-12)11(16)13-8/h2,7H,1,3-6,12H2,(H,13,16)(H,14,15)
InChIKeyPJAULCOLKZLTNU-UHFFFAOYSA-N
XLogP1.05
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-5-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?
The IUPAC name of 3-hydrazinyl-5-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one (CID 130303316) is 3-hydrazinyl-5-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-hydrazinyl-5-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?
The canonical SMILES for 3-hydrazinyl-5-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one is C=CCC1CCCc2[nH]c(=O)c(NN)nc21.
What is the InChIKey of 3-hydrazinyl-5-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?
The InChIKey is PJAULCOLKZLTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-4-7-5-3-6-8-9(7)14-10(15-12)11(16)13-8/h2,7H,1,3-6,12H2,(H,13,16)(H,14,15).
What are the key properties of 3-hydrazinyl-5-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?
3-hydrazinyl-5-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one has a molecular weight of 220.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-5-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one is sourced from PubChem (CID 130303316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).