2-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C11H19N3O — CID 103071139

IUPAC2-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESC=C(CN)CN1CCN2C(=O)CCC2C1
InChIInChI=1S/C11H19N3O/c1-9(6-12)7-13-4-5-14-10(8-13)2-3-11(14)15/h10H,1-8,12H2
InChIKeyPFJMQRJEIBZFES-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.19
Rot. Bonds3

About 2-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 103071139) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID103071139
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESC=C(CN)CN1CCN2C(=O)CCC2C1
InChIInChI=1S/C11H19N3O/c1-9(6-12)7-13-4-5-14-10(8-13)2-3-11(14)15/h10H,1-8,12H2
InChIKeyPFJMQRJEIBZFES-UHFFFAOYSA-N
XLogP-0.19
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 103071139) is 2-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is C=C(CN)CN1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is PFJMQRJEIBZFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(6-12)7-13-4-5-14-10(8-13)2-3-11(14)15/h10H,1-8,12H2.
What are the key properties of 2-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 209.29 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 103071139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).