(2R)-1-N,2-N-dimethyl-2,5-dihydropyrrole-1,2-dicarboxamide

C8H13N3O2 — CID 58797869

IUPAC(2R)-1-N,2-N-dimethyl-2,5-dihydropyrrole-1,2-dicarboxamide
SMILESCNC(=O)[C@H]1C=CCN1C(=O)NC
InChIInChI=1S/C8H13N3O2/c1-9-7(12)6-4-3-5-11(6)8(13)10-2/h3-4,6H,5H2,1-2H3,(H,9,12)(H,10,13)/t6-/m1/s1
InChIKeyGSUQPOGLNHZTSJ-ZCFIWIBFSA-N
MW183.21 g/mol
LogP-0.69
Rot. Bonds1

About (2R)-1-N,2-N-dimethyl-2,5-dihydropyrrole-1,2-dicarboxamide

(2R)-1-N,2-N-dimethyl-2,5-dihydropyrrole-1,2-dicarboxamide (PubChem CID 58797869) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2R)-1-N,2-N-dimethyl-2,5-dihydropyrrole-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N,2-N-dimethyl-2,5-dihydropyrrole-1,2-dicarboxamide
PubChem CID58797869
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(2R)-1-N,2-N-dimethyl-2,5-dihydropyrrole-1,2-dicarboxamide
SMILESCNC(=O)[C@H]1C=CCN1C(=O)NC
InChIInChI=1S/C8H13N3O2/c1-9-7(12)6-4-3-5-11(6)8(13)10-2/h3-4,6H,5H2,1-2H3,(H,9,12)(H,10,13)/t6-/m1/s1
InChIKeyGSUQPOGLNHZTSJ-ZCFIWIBFSA-N
XLogP-0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N,2-N-dimethyl-2,5-dihydropyrrole-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N,2-N-dimethyl-2,5-dihydropyrrole-1,2-dicarboxamide (CID 58797869) is (2R)-1-N,2-N-dimethyl-2,5-dihydropyrrole-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N,2-N-dimethyl-2,5-dihydropyrrole-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N,2-N-dimethyl-2,5-dihydropyrrole-1,2-dicarboxamide is CNC(=O)[C@H]1C=CCN1C(=O)NC.
What is the InChIKey of (2R)-1-N,2-N-dimethyl-2,5-dihydropyrrole-1,2-dicarboxamide?
The InChIKey is GSUQPOGLNHZTSJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-9-7(12)6-4-3-5-11(6)8(13)10-2/h3-4,6H,5H2,1-2H3,(H,9,12)(H,10,13)/t6-/m1/s1.
What are the key properties of (2R)-1-N,2-N-dimethyl-2,5-dihydropyrrole-1,2-dicarboxamide?
(2R)-1-N,2-N-dimethyl-2,5-dihydropyrrole-1,2-dicarboxamide has a molecular weight of 183.21 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N,2-N-dimethyl-2,5-dihydropyrrole-1,2-dicarboxamide is sourced from PubChem (CID 58797869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).