1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine

C8H18I2N2O2 — CID 157410689

IUPAC1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine
SMILESC.C.CC1CC(=O)N(CN)C1=O.II
InChIInChI=1S/C6H10N2O2.2CH4.I2/c1-4-2-5(9)8(3-7)6(4)10;;;1-2/h4H,2-3,7H2,1H3;2*1H4;
InChIKeyBOGFKRACMPCROP-UHFFFAOYSA-N
MW428.05 g/mol
LogP2.34
Rot. Bonds1

About 1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine

1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine (PubChem CID 157410689) has the molecular formula C8H18I2N2O2 and a molecular weight of 428.05 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine
PubChem CID157410689
Molecular FormulaC8H18I2N2O2
Molecular Weight428.05 g/mol
Exact Mass427.95
IUPAC Name1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine
SMILESC.C.CC1CC(=O)N(CN)C1=O.II
InChIInChI=1S/C6H10N2O2.2CH4.I2/c1-4-2-5(9)8(3-7)6(4)10;;;1-2/h4H,2-3,7H2,1H3;2*1H4;
InChIKeyBOGFKRACMPCROP-UHFFFAOYSA-N
XLogP2.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.05
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione
CID 61236993
CID 59941556
CID 59941556
1-[[4-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 54980098
1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 103482320
(3R)-3-methyl-1-prop-2-enylpyrrolidine-2,5-dione
CID 15757783
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
(3S)-1-butyl-3-methylpyrrolidine-2,5-dione
CID 98085422
1-[[4-(2-aminoethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 62501670
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanethioamide
CID 61238117
3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione
CID 54496273
3-methyl-1-propylpyrrolidine-2,5-dione;nonane
CID 163913553
1-(6-chlorohexyl)-3-methylpyrrolidine-2,5-dione
CID 62227239

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine?
The IUPAC name of 1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine (CID 157410689) is 1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine.
What is the SMILES notation for 1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine?
The canonical SMILES for 1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine is C.C.CC1CC(=O)N(CN)C1=O.II.
What is the InChIKey of 1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine?
The InChIKey is BOGFKRACMPCROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.2CH4.I2/c1-4-2-5(9)8(3-7)6(4)10;;;1-2/h4H,2-3,7H2,1H3;2*1H4;.
What are the key properties of 1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine?
1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine has a molecular weight of 428.05 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine is sourced from PubChem (CID 157410689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).