2-(2,6-dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine

C10H16N4O2 — CID 167308601

IUPAC2-(2,6-dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine
SMILESC=CN/C(=N/C1CCC(=O)NC1=O)N(C)C
InChIInChI=1S/C10H16N4O2/c1-4-11-10(14(2)3)12-7-5-6-8(15)13-9(7)16/h4,7H,1,5-6H2,2-3H3,(H,11,12)(H,13,15,16)
InChIKeySPNSMKNEBROZPG-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.56
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine

2-(2,6-dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine (PubChem CID 167308601) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine
PubChem CID167308601
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine
SMILESC=CN/C(=N/C1CCC(=O)NC1=O)N(C)C
InChIInChI=1S/C10H16N4O2/c1-4-11-10(14(2)3)12-7-5-6-8(15)13-9(7)16/h4,7H,1,5-6H2,2-3H3,(H,11,12)(H,13,15,16)
InChIKeySPNSMKNEBROZPG-UHFFFAOYSA-N
XLogP-0.56
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine (CID 167308601) is 2-(2,6-dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine is C=CN/C(=N/C1CCC(=O)NC1=O)N(C)C.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine?
The InChIKey is SPNSMKNEBROZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-11-10(14(2)3)12-7-5-6-8(15)13-9(7)16/h4,7H,1,5-6H2,2-3H3,(H,11,12)(H,13,15,16).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine?
2-(2,6-dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine has a molecular weight of 224.26 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine is sourced from PubChem (CID 167308601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).