(NE)-N-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carboxamide;2-oxopyrrolidine-1-carboxamide

C13H21N5O4 — CID 13348355

IUPAC(NE)-N-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carboxamide;2-oxopyrrolidine-1-carboxamide
SMILESCN(C)/C=N/C(=O)N1CCCC1=O.NC(=O)N1CCCC1=O
InChIInChI=1S/C8H13N3O2.C5H8N2O2/c1-10(2)6-9-8(13)11-5-3-4-7(11)12;6-5(9)7-3-1-2-4(7)8/h6H,3-5H2,1-2H3;1-3H2,(H2,6,9)/b9-6+;
InChIKeyUSFREAHVOUCVFF-MLBSPLJJSA-N
MW311.34 g/mol
LogP0.01
Rot. Bonds1

About (NE)-N-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carboxamide;2-oxopyrrolidine-1-carboxamide

(NE)-N-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carboxamide;2-oxopyrrolidine-1-carboxamide (PubChem CID 13348355) has the molecular formula C13H21N5O4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (NE)-N-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carboxamide;2-oxopyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(NE)-N-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carboxamide;2-oxopyrrolidine-1-carboxamide
PubChem CID13348355
Molecular FormulaC13H21N5O4
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name(NE)-N-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carboxamide;2-oxopyrrolidine-1-carboxamide
SMILESCN(C)/C=N/C(=O)N1CCCC1=O.NC(=O)N1CCCC1=O
InChIInChI=1S/C8H13N3O2.C5H8N2O2/c1-10(2)6-9-8(13)11-5-3-4-7(11)12;6-5(9)7-3-1-2-4(7)8/h6H,3-5H2,1-2H3;1-3H2,(H2,6,9)/b9-6+;
InChIKeyUSFREAHVOUCVFF-MLBSPLJJSA-N
XLogP0.01
TPSA116.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-oxopyrrolidine-1-carboxylic acid;urea
CID 158320427
1-(1-aminoethenyl)pyrrolidin-2-one
CID 18740015
(NZ)-N'-ethyl-2-oxo-N-propylidenepyrrolidine-1-carboximidamide
CID 144779448
3-oxo-3-(2-oxopyrrolidin-1-yl)propanamide
CID 174751392
2-oxopyrrolidine-1-carboxylic acid;zinc
CID 174972169
1-(2-methylbenzoyl)azepan-2-one
CID 175288999
N-methyl-2-oxopyrrolidine-1-carboxamide
CID 18176273
1-(2-aminoacetyl)pyrrolidin-2-one
CID 55208573
1-[(E)-but-2-enoyl]piperidin-2-one
CID 101396423
2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione
CID 10932126
ethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate
CID 62011647
1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate
CID 154183318

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carboxamide;2-oxopyrrolidine-1-carboxamide?
The IUPAC name of (NE)-N-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carboxamide;2-oxopyrrolidine-1-carboxamide (CID 13348355) is (NE)-N-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carboxamide;2-oxopyrrolidine-1-carboxamide.
What is the SMILES notation for (NE)-N-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carboxamide;2-oxopyrrolidine-1-carboxamide?
The canonical SMILES for (NE)-N-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carboxamide;2-oxopyrrolidine-1-carboxamide is CN(C)/C=N/C(=O)N1CCCC1=O.NC(=O)N1CCCC1=O.
What is the InChIKey of (NE)-N-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carboxamide;2-oxopyrrolidine-1-carboxamide?
The InChIKey is USFREAHVOUCVFF-MLBSPLJJSA-N. The full InChI is InChI=1S/C8H13N3O2.C5H8N2O2/c1-10(2)6-9-8(13)11-5-3-4-7(11)12;6-5(9)7-3-1-2-4(7)8/h6H,3-5H2,1-2H3;1-3H2,(H2,6,9)/b9-6+;.
What are the key properties of (NE)-N-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carboxamide;2-oxopyrrolidine-1-carboxamide?
(NE)-N-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carboxamide;2-oxopyrrolidine-1-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carboxamide;2-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 13348355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).