3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione

C11H18N2O4 — CID 114952741

IUPAC3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione
SMILESCN(CC1(O)CCOCC1)C1CC(=O)NC1=O
InChIInChI=1S/C11H18N2O4/c1-13(8-6-9(14)12-10(8)15)7-11(16)2-4-17-5-3-11/h8,16H,2-7H2,1H3,(H,12,14,15)
InChIKeyIAPORWONGRKGIO-UHFFFAOYSA-N
MW242.27 g/mol
LogP-1.13
Rot. Bonds3

About 3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione

3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione (PubChem CID 114952741) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione
PubChem CID114952741
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione
SMILESCN(CC1(O)CCOCC1)C1CC(=O)NC1=O
InChIInChI=1S/C11H18N2O4/c1-13(8-6-9(14)12-10(8)15)7-11(16)2-4-17-5-3-11/h8,16H,2-7H2,1H3,(H,12,14,15)
InChIKeyIAPORWONGRKGIO-UHFFFAOYSA-N
XLogP-1.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 105359461
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 114951434
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106704148
4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol
CID 104985620
4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol
CID 114952965
2-chloro-5-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 106502232
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol
CID 114954279
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
1-[(4-hydroxyoxan-4-yl)methyl]-4-methylpiperidine-2,6-dione
CID 81131359
3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-iodo-N-methylbenzamide
CID 105341207
5-chloro-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136981165

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione (CID 114952741) is 3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione is CN(CC1(O)CCOCC1)C1CC(=O)NC1=O.
What is the InChIKey of 3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione?
The InChIKey is IAPORWONGRKGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-13(8-6-9(14)12-10(8)15)7-11(16)2-4-17-5-3-11/h8,16H,2-7H2,1H3,(H,12,14,15).
What are the key properties of 3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione?
3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione has a molecular weight of 242.27 g/mol, XLogP of -1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 114952741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).