potassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide

C11H11KN2O — CID 155709979

IUPACpotassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide
SMILESNC(=O)C1CCC(c2cc[c-]cc2)=N1.[K+]
InChIInChI=1S/C11H11N2O.K/c12-11(14)10-7-6-9(13-10)8-4-2-1-3-5-8;/h2-5,10H,6-7H2,(H2,12,14);/q-1;+1
InChIKeyDKBJXIASRCVVDN-UHFFFAOYSA-N
MW226.32 g/mol
LogP-2.07
Rot. Bonds2

About potassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide

potassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide (PubChem CID 155709979) has the molecular formula C11H11KN2O and a molecular weight of 226.32 g/mol. Its IUPAC name is potassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide.

Molecular Properties

Compound Namepotassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide
PubChem CID155709979
Molecular FormulaC11H11KN2O
Molecular Weight226.32 g/mol
Exact Mass226.05
IUPAC Namepotassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide
SMILESNC(=O)C1CCC(c2cc[c-]cc2)=N1.[K+]
InChIInChI=1S/C11H11N2O.K/c12-11(14)10-7-6-9(13-10)8-4-2-1-3-5-8;/h2-5,10H,6-7H2,(H2,12,14);/q-1;+1
InChIKeyDKBJXIASRCVVDN-UHFFFAOYSA-N
XLogP-2.07
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-2.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-fluoro-7H-indol-3-yl)acetamide
CID 67231230
2-(4-fluoro-7H-indol-3-yl)acetamide
CID 67232914
2-(2-methyl-7H-indol-3-yl)acetamide
CID 67230928
2-(5-methyl-7H-indol-3-yl)acetamide
CID 67231053
2-(6-methyl-7H-indol-3-yl)acetamide
CID 67232347
4-Cyclohexa-1,3-dien-1-yl-4-iminobutanamide
CID 90949307
(2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium
CID 155709968

Frequently Asked Questions

What is the IUPAC name of potassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide?
The IUPAC name of potassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide (CID 155709979) is potassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide.
What is the SMILES notation for potassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide?
The canonical SMILES for potassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide is NC(=O)C1CCC(c2cc[c-]cc2)=N1.[K+].
What is the InChIKey of potassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide?
The InChIKey is DKBJXIASRCVVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2O.K/c12-11(14)10-7-6-9(13-10)8-4-2-1-3-5-8;/h2-5,10H,6-7H2,(H2,12,14);/q-1;+1.
What are the key properties of potassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide?
potassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of -2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide is sourced from PubChem (CID 155709979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).