2-(4-prop-2-enylpyrrolidin-3-yl)oxyquinoxaline

C30H34N6O2 — CID 157381113

IUPAC2-(4-prop-2-enylpyrrolidin-3-yl)oxyquinoxaline
SMILESC=CCC1CNCC1Oc1cnc2ccccc2n1.C=CCC1CNCC1Oc1cnc2ccccc2n1
InChIInChI=1S/2C15H17N3O/c2*1-2-5-11-8-16-9-14(11)19-15-10-17-12-6-3-4-7-13(12)18-15/h2*2-4,6-7,10-11,14,16H,1,5,8-9H2
InChIKeyBKWWBYFSSAPSPQ-UHFFFAOYSA-N
MW510.64 g/mol
LogP4.35
Rot. Bonds8

About 2-(4-prop-2-enylpyrrolidin-3-yl)oxyquinoxaline

2-(4-prop-2-enylpyrrolidin-3-yl)oxyquinoxaline (PubChem CID 157381113) has the molecular formula C30H34N6O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 2-(4-prop-2-enylpyrrolidin-3-yl)oxyquinoxaline.

Molecular Properties

Compound Name2-(4-prop-2-enylpyrrolidin-3-yl)oxyquinoxaline
PubChem CID157381113
Molecular FormulaC30H34N6O2
Molecular Weight510.64 g/mol
Exact Mass510.27
IUPAC Name2-(4-prop-2-enylpyrrolidin-3-yl)oxyquinoxaline
SMILESC=CCC1CNCC1Oc1cnc2ccccc2n1.C=CCC1CNCC1Oc1cnc2ccccc2n1
InChIInChI=1S/2C15H17N3O/c2*1-2-5-11-8-16-9-14(11)19-15-10-17-12-6-3-4-7-13(12)18-15/h2*2-4,6-7,10-11,14,16H,1,5,8-9H2
InChIKeyBKWWBYFSSAPSPQ-UHFFFAOYSA-N
XLogP4.35
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 2-(4-prop-2-enylpyrrolidin-3-yl)oxyquinoxaline?
The IUPAC name of 2-(4-prop-2-enylpyrrolidin-3-yl)oxyquinoxaline (CID 157381113) is 2-(4-prop-2-enylpyrrolidin-3-yl)oxyquinoxaline.
What is the SMILES notation for 2-(4-prop-2-enylpyrrolidin-3-yl)oxyquinoxaline?
The canonical SMILES for 2-(4-prop-2-enylpyrrolidin-3-yl)oxyquinoxaline is C=CCC1CNCC1Oc1cnc2ccccc2n1.C=CCC1CNCC1Oc1cnc2ccccc2n1.
What is the InChIKey of 2-(4-prop-2-enylpyrrolidin-3-yl)oxyquinoxaline?
The InChIKey is BKWWBYFSSAPSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H17N3O/c2*1-2-5-11-8-16-9-14(11)19-15-10-17-12-6-3-4-7-13(12)18-15/h2*2-4,6-7,10-11,14,16H,1,5,8-9H2.
What are the key properties of 2-(4-prop-2-enylpyrrolidin-3-yl)oxyquinoxaline?
2-(4-prop-2-enylpyrrolidin-3-yl)oxyquinoxaline has a molecular weight of 510.64 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-2-enylpyrrolidin-3-yl)oxyquinoxaline is sourced from PubChem (CID 157381113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).