3-(tert-butylamino)-1-methylpyrrole-2,5-dione

C9H14N2O2 — CID 90305557

IUPAC3-(tert-butylamino)-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(NC(C)(C)C)C1=O
InChIInChI=1S/C9H14N2O2/c1-9(2,3)10-6-5-7(12)11(4)8(6)13/h5,10H,1-4H3
InChIKeyMKVUQFBCMUTUSX-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.26
Rot. Bonds1

About 3-(tert-butylamino)-1-methylpyrrole-2,5-dione

3-(tert-butylamino)-1-methylpyrrole-2,5-dione (PubChem CID 90305557) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(tert-butylamino)-1-methylpyrrole-2,5-dione
PubChem CID90305557
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(tert-butylamino)-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(NC(C)(C)C)C1=O
InChIInChI=1S/C9H14N2O2/c1-9(2,3)10-6-5-7(12)11(4)8(6)13/h5,10H,1-4H3
InChIKeyMKVUQFBCMUTUSX-UHFFFAOYSA-N
XLogP0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-1-methyl-1h-pyrrole-2,5-dione
CID 291294
1-methyl-3-(methylamino)-1H-pyrrole-2,5-dione
CID 4512325
(Z)-2-acetamido-N-methylbut-2-enamide
CID 15337749
3-(Methylamino)pyrrole-2,5-dione
CID 55300853
2-(dimethyl maleimido)-N-ethyl-acrylamide
CID 89310859
Dimethylaminomaleinimide
CID 129789350
1-Acetyl-3-eth-(Z)-ylidene-piperazine-2,5-dione
CID 15176645
Propylaminomaleimide
CID 66927264
N-Methyl propylaminomaleimide
CID 68150162
1-Butyl-3-(butylamino)-1H-pyrrole-2,5-dione
CID 4512565
(3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione
CID 15176646
3-(Ethylamino)-1-methyl-1H-pyrrole-2,5-dione
CID 4512326

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-(tert-butylamino)-1-methylpyrrole-2,5-dione (CID 90305557) is 3-(tert-butylamino)-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-(tert-butylamino)-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-(tert-butylamino)-1-methylpyrrole-2,5-dione is CN1C(=O)C=C(NC(C)(C)C)C1=O.
What is the InChIKey of 3-(tert-butylamino)-1-methylpyrrole-2,5-dione?
The InChIKey is MKVUQFBCMUTUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,3)10-6-5-7(12)11(4)8(6)13/h5,10H,1-4H3.
What are the key properties of 3-(tert-butylamino)-1-methylpyrrole-2,5-dione?
3-(tert-butylamino)-1-methylpyrrole-2,5-dione has a molecular weight of 182.22 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 90305557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).