1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine

C10H19N3O2 — CID 158079923

IUPAC1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine
SMILESCC1CC(=O)N(C)C1=O.CNN=C(C)C
InChIInChI=1S/C6H9NO2.C4H10N2/c1-4-3-5(8)7(2)6(4)9;1-4(2)6-5-3/h4H,3H2,1-2H3;5H,1-3H3
InChIKeyFMVCZBASYAXYNE-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.61
Rot. Bonds1

About 1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine

1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine (PubChem CID 158079923) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine.

Molecular Properties

Compound Name1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine
PubChem CID158079923
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine
SMILESCC1CC(=O)N(C)C1=O.CNN=C(C)C
InChIInChI=1S/C6H9NO2.C4H10N2/c1-4-3-5(8)7(2)6(4)9;1-4(2)6-5-3/h4H,3H2,1-2H3;5H,1-3H3
InChIKeyFMVCZBASYAXYNE-UHFFFAOYSA-N
XLogP0.61
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine?
The IUPAC name of 1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine (CID 158079923) is 1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine.
What is the SMILES notation for 1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine?
The canonical SMILES for 1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine is CC1CC(=O)N(C)C1=O.CNN=C(C)C.
What is the InChIKey of 1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine?
The InChIKey is FMVCZBASYAXYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.C4H10N2/c1-4-3-5(8)7(2)6(4)9;1-4(2)6-5-3/h4H,3H2,1-2H3;5H,1-3H3.
What are the key properties of 1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine?
1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine has a molecular weight of 213.28 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrrolidine-2,5-dione;N-(propan-2-ylideneamino)methanamine is sourced from PubChem (CID 158079923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).