3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

C13H22N2O3 — CID 114240872

IUPAC3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC1COCCC1NC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C13H22N2O3/c1-8(2)15-12(16)6-11(13(15)17)14-10-4-5-18-7-9(10)3/h8-11,14H,4-7H2,1-3H3
InChIKeyMNBHLMHZXCNDTQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds3

About 3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 114240872) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID114240872
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC1COCCC1NC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C13H22N2O3/c1-8(2)15-12(16)6-11(13(15)17)14-10-4-5-18-7-9(10)3/h8-11,14H,4-7H2,1-3H3
InChIKeyMNBHLMHZXCNDTQ-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,4-dioxan-2-ylmethylamino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 54907550
3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636059
3-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 114545472
2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide
CID 120796324
3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 83036032
2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796323
1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione
CID 79100069
3-methyl-N-propan-2-yloxan-4-amine
CID 71633062
1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 71852782
3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636637
1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
CID 43636471
(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 83194716

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 114240872) is 3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is CC1COCCC1NC1CC(=O)N(C(C)C)C1=O.
What is the InChIKey of 3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is MNBHLMHZXCNDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8(2)15-12(16)6-11(13(15)17)14-10-4-5-18-7-9(10)3/h8-11,14H,4-7H2,1-3H3.
What are the key properties of 3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 114240872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).