2-N,3-dimethyl-1H-pyrrole-2,5-dicarboxamide

C8H11N3O2 — CID 154175920

IUPAC2-N,3-dimethyl-1H-pyrrole-2,5-dicarboxamide
SMILESCNC(=O)c1[nH]c(C(N)=O)cc1C
InChIInChI=1S/C8H11N3O2/c1-4-3-5(7(9)12)11-6(4)8(13)10-2/h3,11H,1-2H3,(H2,9,12)(H,10,13)
InChIKeyQLTCTUXZHNKOMK-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.22
Rot. Bonds2

About 2-N,3-dimethyl-1H-pyrrole-2,5-dicarboxamide

2-N,3-dimethyl-1H-pyrrole-2,5-dicarboxamide (PubChem CID 154175920) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-N,3-dimethyl-1H-pyrrole-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,3-dimethyl-1H-pyrrole-2,5-dicarboxamide
PubChem CID154175920
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-N,3-dimethyl-1H-pyrrole-2,5-dicarboxamide
SMILESCNC(=O)c1[nH]c(C(N)=O)cc1C
InChIInChI=1S/C8H11N3O2/c1-4-3-5(7(9)12)11-6(4)8(13)10-2/h3,11H,1-2H3,(H2,9,12)(H,10,13)
InChIKeyQLTCTUXZHNKOMK-UHFFFAOYSA-N
XLogP-0.22
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-1H-pyrrole-2,5-dicarboxamide?
The IUPAC name of 2-N,3-dimethyl-1H-pyrrole-2,5-dicarboxamide (CID 154175920) is 2-N,3-dimethyl-1H-pyrrole-2,5-dicarboxamide.
What is the SMILES notation for 2-N,3-dimethyl-1H-pyrrole-2,5-dicarboxamide?
The canonical SMILES for 2-N,3-dimethyl-1H-pyrrole-2,5-dicarboxamide is CNC(=O)c1[nH]c(C(N)=O)cc1C.
What is the InChIKey of 2-N,3-dimethyl-1H-pyrrole-2,5-dicarboxamide?
The InChIKey is QLTCTUXZHNKOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-3-5(7(9)12)11-6(4)8(13)10-2/h3,11H,1-2H3,(H2,9,12)(H,10,13).
What are the key properties of 2-N,3-dimethyl-1H-pyrrole-2,5-dicarboxamide?
2-N,3-dimethyl-1H-pyrrole-2,5-dicarboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-1H-pyrrole-2,5-dicarboxamide is sourced from PubChem (CID 154175920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).