(2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium

C11H11N2OU- — CID 155709968

IUPAC(2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium
SMILESNC(=O)[C@@H]1CCC(c2cc[c-]cc2)=N1.[U]
InChIInChI=1S/C11H11N2O.U/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;/t10-;/m0./s1
InChIKeyUXCQLGSZWVJYIB-PPHPATTJSA-N
MW425.25 g/mol
LogP0.92
Rot. Bonds2

About (2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium

(2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium (PubChem CID 155709968) has the molecular formula C11H11N2OU- and a molecular weight of 425.25 g/mol. Its IUPAC name is (2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium.

Molecular Properties

Compound Name(2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium
PubChem CID155709968
Molecular FormulaC11H11N2OU-
Molecular Weight425.25 g/mol
Exact Mass425.14
IUPAC Name(2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium
SMILESNC(=O)[C@@H]1CCC(c2cc[c-]cc2)=N1.[U]
InChIInChI=1S/C11H11N2O.U/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;/t10-;/m0./s1
InChIKeyUXCQLGSZWVJYIB-PPHPATTJSA-N
XLogP0.92
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.25
LogP ≤ 50.92
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
potassium 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide
CID 155709979

Frequently Asked Questions

What is the IUPAC name of (2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium?
The IUPAC name of (2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium (CID 155709968) is (2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium.
What is the SMILES notation for (2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium?
The canonical SMILES for (2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium is NC(=O)[C@@H]1CCC(c2cc[c-]cc2)=N1.[U].
What is the InChIKey of (2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium?
The InChIKey is UXCQLGSZWVJYIB-PPHPATTJSA-N. The full InChI is InChI=1S/C11H11N2O.U/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;/t10-;/m0./s1.
What are the key properties of (2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium?
(2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium has a molecular weight of 425.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxamide;uranium is sourced from PubChem (CID 155709968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).