(3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione

C7H12N2O2 — CID 59681935

IUPAC(3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione
SMILESC[C@H]1CC(=O)N(N(C)C)C1=O
InChIInChI=1S/C7H12N2O2/c1-5-4-6(10)9(7(5)11)8(2)3/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyNRJITAVOCBVDSW-YFKPBYRVSA-N
MW156.18 g/mol
LogP-0.14
Rot. Bonds1

About (3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione

(3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione (PubChem CID 59681935) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione
PubChem CID59681935
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione
SMILESC[C@H]1CC(=O)N(N(C)C)C1=O
InChIInChI=1S/C7H12N2O2/c1-5-4-6(10)9(7(5)11)8(2)3/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyNRJITAVOCBVDSW-YFKPBYRVSA-N
XLogP-0.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethylpyrrolidine-2,5-dione
CID 85866
(R)-1,3-Dimethylpyrrolidine-2,5-dione
CID 1394791
1-(Dimethylamino)pyrrolidine-2,5-dione
CID 3614340
(3S)-1,3-Dimethyl-2,5-pyrrolidinedione
CID 12991007
1-Amino-3-methylpyrrolidine-2,5-dione
CID 57864821
3-Methyl-1-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
CID 57864824
N-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 68760679
1-(Dimethylamino)-3-methylpyrrolidine-2,5-dione
CID 72357080
3-Methyl-1-nitrosopyrrolidin-2-one
CID 87066697
N-(2,5-dioxopyrrolidin-1-yl)-N-methylformamide
CID 88932629
1-Amino-3,4-dimethylpyrrolidine-2,5-dione
CID 89484333
3-Methanidyl-1-methylpyrrolidine-2,5-dione
CID 90956802

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione (CID 59681935) is (3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione is C[C@H]1CC(=O)N(N(C)C)C1=O.
What is the InChIKey of (3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione?
The InChIKey is NRJITAVOCBVDSW-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5-4-6(10)9(7(5)11)8(2)3/h5H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione?
(3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione has a molecular weight of 156.18 g/mol, XLogP of -0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 59681935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).