4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

C13H16N4O — CID 134071436

IUPAC4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
SMILESC=CCN1C(=O)CC2C1CCN2c1cnccn1
InChIInChI=1S/C13H16N4O/c1-2-6-17-10-3-7-16(11(10)8-13(17)18)12-9-14-4-5-15-12/h2,4-5,9-11H,1,3,6-8H2
InChIKeyGNGDUJYZHAVQRZ-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.84
Rot. Bonds3

About 4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one (PubChem CID 134071436) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
PubChem CID134071436
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
SMILESC=CCN1C(=O)CC2C1CCN2c1cnccn1
InChIInChI=1S/C13H16N4O/c1-2-6-17-10-3-7-16(11(10)8-13(17)18)12-9-14-4-5-15-12/h2,4-5,9-11H,1,3,6-8H2
InChIKeyGNGDUJYZHAVQRZ-UHFFFAOYSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The IUPAC name of 4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one (CID 134071436) is 4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.
What is the SMILES notation for 4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The canonical SMILES for 4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one is C=CCN1C(=O)CC2C1CCN2c1cnccn1.
What is the InChIKey of 4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The InChIKey is GNGDUJYZHAVQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-6-17-10-3-7-16(11(10)8-13(17)18)12-9-14-4-5-15-12/h2,4-5,9-11H,1,3,6-8H2.
What are the key properties of 4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one has a molecular weight of 244.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 134071436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).