1-[(pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione

C10H11N3O2 — CID 659627

IUPAC1-[(pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CNc1ccccn1
InChIInChI=1S/C10H11N3O2/c14-9-4-5-10(15)13(9)7-12-8-3-1-2-6-11-8/h1-3,6H,4-5,7H2,(H,11,12)
InChIKeyJFSVMQBWCVYVBE-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.60
Rot. Bonds3

About 1-[(pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione

1-[(pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione (PubChem CID 659627) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-[(pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione
PubChem CID659627
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-[(pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CNc1ccccn1
InChIInChI=1S/C10H11N3O2/c14-9-4-5-10(15)13(9)7-12-8-3-1-2-6-11-8/h1-3,6H,4-5,7H2,(H,11,12)
InChIKeyJFSVMQBWCVYVBE-UHFFFAOYSA-N
XLogP0.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione (CID 659627) is 1-[(pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CNc1ccccn1.
What is the InChIKey of 1-[(pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione?
The InChIKey is JFSVMQBWCVYVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-9-4-5-10(15)13(9)7-12-8-3-1-2-6-11-8/h1-3,6H,4-5,7H2,(H,11,12).
What are the key properties of 1-[(pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione?
1-[(pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione has a molecular weight of 205.22 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 659627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).