methyl N-(methylcarbamoyloxy)-2-oxo-2-pyrrolidin-1-ylethanimidate

C9H15N3O4 — CID 54236767

IUPACmethyl N-(methylcarbamoyloxy)-2-oxo-2-pyrrolidin-1-ylethanimidate
SMILESCNC(=O)ON=C(OC)C(=O)N1CCCC1
InChIInChI=1S/C9H15N3O4/c1-10-9(14)16-11-7(15-2)8(13)12-5-3-4-6-12/h3-6H2,1-2H3,(H,10,14)
InChIKeyQNCWMYGSCFUPAT-UHFFFAOYSA-N
MW229.24 g/mol
LogP-0.08
Rot. Bonds1

About methyl N-(methylcarbamoyloxy)-2-oxo-2-pyrrolidin-1-ylethanimidate

methyl N-(methylcarbamoyloxy)-2-oxo-2-pyrrolidin-1-ylethanimidate (PubChem CID 54236767) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is methyl N-(methylcarbamoyloxy)-2-oxo-2-pyrrolidin-1-ylethanimidate.

Molecular Properties

Compound Namemethyl N-(methylcarbamoyloxy)-2-oxo-2-pyrrolidin-1-ylethanimidate
PubChem CID54236767
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Namemethyl N-(methylcarbamoyloxy)-2-oxo-2-pyrrolidin-1-ylethanimidate
SMILESCNC(=O)ON=C(OC)C(=O)N1CCCC1
InChIInChI=1S/C9H15N3O4/c1-10-9(14)16-11-7(15-2)8(13)12-5-3-4-6-12/h3-6H2,1-2H3,(H,10,14)
InChIKeyQNCWMYGSCFUPAT-UHFFFAOYSA-N
XLogP-0.08
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[1-[4-[4-[(2E)-2-(methylcarbamoyloxyimino)butanoyl]phenyl]sulfanylphenyl]-1-oxobutan-2-ylidene]amino] piperidine-1-carboxylate
CID 155208028
methyl N-(methylcarbamoyloxy)butanimidate
CID 173461577
methyl N-(methylcarbamoyloxy)ethanimidothioate
CID 4109
2-oxo-2-piperidin-1-ylacetamide
CID 22394328
2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide
CID 89129366
CID 123683302
CID 123683302
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate
CID 57069929
methyl N-(azetidine-1-carbonylamino)carbamate
CID 130618918
N-methoxyazocane-1-carboxamide
CID 130891205
1-pyrrolidin-1-ylpentane-1,2,4-trione
CID 86731962
4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione
CID 150340291
2-hydroxyimino-1-piperidin-1-ylpropan-1-one
CID 71404866

Frequently Asked Questions

What is the IUPAC name of methyl N-(methylcarbamoyloxy)-2-oxo-2-pyrrolidin-1-ylethanimidate?
The IUPAC name of methyl N-(methylcarbamoyloxy)-2-oxo-2-pyrrolidin-1-ylethanimidate (CID 54236767) is methyl N-(methylcarbamoyloxy)-2-oxo-2-pyrrolidin-1-ylethanimidate.
What is the SMILES notation for methyl N-(methylcarbamoyloxy)-2-oxo-2-pyrrolidin-1-ylethanimidate?
The canonical SMILES for methyl N-(methylcarbamoyloxy)-2-oxo-2-pyrrolidin-1-ylethanimidate is CNC(=O)ON=C(OC)C(=O)N1CCCC1.
What is the InChIKey of methyl N-(methylcarbamoyloxy)-2-oxo-2-pyrrolidin-1-ylethanimidate?
The InChIKey is QNCWMYGSCFUPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-10-9(14)16-11-7(15-2)8(13)12-5-3-4-6-12/h3-6H2,1-2H3,(H,10,14).
What are the key properties of methyl N-(methylcarbamoyloxy)-2-oxo-2-pyrrolidin-1-ylethanimidate?
methyl N-(methylcarbamoyloxy)-2-oxo-2-pyrrolidin-1-ylethanimidate has a molecular weight of 229.24 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(methylcarbamoyloxy)-2-oxo-2-pyrrolidin-1-ylethanimidate is sourced from PubChem (CID 54236767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).